CAS RN: 152340-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H69N7O15
MOLECULAR WEIGHT: 1020.13146
SMILES: CC[C@H](C)C1C(=O)N[C@H]2C3=CC=C(C=C3)O[C@@H]([C@@]4(CO4)/C=C\C(=O)NCC(=O)OC[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](C)[C@@H](C(C)C)O)C)NC(=O)[C@H](NC(=O)[C@@H](N(C2=O)C)CC5=CC=CC=C5)[C@@H](C)O)C
Structure:
CAS RN: 151955-27-0
CAS Name: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-1-propanamine; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid
OPENEYE Name: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid
IUPAC Name: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
SYSTEMATIC NAME: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C61H58N2O8
MOLECULAR WEIGHT: 947.12182
SMILES: CN(CC/C=C\1/C2=CC=CC=C2OCC3=CC=CC=C13)C.CN(CC/C=C\1/C2=CC=CC=C2OCC3=CC=CC=C13)C.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)O)CC3=C(C(=CC4=CC=CC=C34)C(=O)O)O
Structure:
CAS RN: 150134-24-0
CAS Name: (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran
OPENEYE Name: (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran
IUPAC Name: (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SYSTEMATIC NAME: (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
MOLECULAR FORMULA: C21H24O4
MOLECULAR WEIGHT: 340.41286
SMILES: C/C=C/C1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 149733-88-0
CAS Name: 10-methyl-9-[(E)-2-[4-[(E)-2-(10-methyl-9-acridin-10-iumyl)ethenyl]phenyl]ethenyl]acridin-10-ium diiodide
OPENEYE Name: 10-methyl-9-[(E)-2-[4-[(E)-2-(10-methylacridin-10-ium-9-yl)vinyl]phenyl]vinyl]acridin-10-ium diiodide
IUPAC Name: 10-methyl-9-[(E)-2-[4-[(E)-2-(10-methylacridin-10-ium-9-yl)ethenyl]phenyl]ethenyl]acridin-10-ium diiodide
SYSTEMATIC NAME: 10-methyl-9-[(E)-2-[4-[(E)-2-(10-methylacridin-10-ium-9-yl)ethenyl]phenyl]ethenyl]acridin-10-ium diiodide
MOLECULAR FORMULA: C38H30I2N2
MOLECULAR WEIGHT: 768.46714
SMILES: C[N+]1=C2C(=C(C3=CC=CC=C13)/C=C/C4=CC=C(C=C4)/C=C/C5=C6C(=[N+](C7=CC=CC=C57)C)C=CC=C6)C=CC=C2.[I-].[I-]
Structure:
CAS RN: 149733-83-5
CAS Name: 5-methyl-6-[(E)-2-[4-[(E)-2-(5-methyl-6-phenanthridin-5-iumyl)ethenyl]phenyl]ethenyl]phenanthridin-5-ium diiodide
OPENEYE Name: 5-methyl-6-[(E)-2-[4-[(E)-2-(5-methylphenanthridin-5-ium-6-yl)vinyl]phenyl]vinyl]phenanthridin-5-ium diiodide
IUPAC Name: 5-methyl-6-[(E)-2-[4-[(E)-2-(5-methylphenanthridin-5-ium-6-yl)ethenyl]phenyl]ethenyl]phenanthridin-5-ium diiodide
SYSTEMATIC NAME: 5-methyl-6-[(E)-2-[4-[(E)-2-(5-methylphenanthridin-5-ium-6-yl)ethenyl]phenyl]ethenyl]phenanthridin-5-ium diiodide
MOLECULAR FORMULA: C38H30I2N2
MOLECULAR WEIGHT: 768.46714
SMILES: C[N+]1=C(C2=CC=CC=C2C3=CC=CC=C13)/C=C/C4=CC=C(C=C4)/C=C/C5=[N+](C6=CC=CC=C6C7=CC=CC=C57)C.[I-].[I-]
Structure:
CAS RN: 141113-28-2
CAS Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)-2-propanol
OPENEYE Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
IUPAC Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-2-[2,4-bis(fluoranyl)phenyl]-1-[3-[(E)-2-[4-[2,2,3,3-tetrakis(fluoranyl)propoxy]phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C24H20F6N6O2
MOLECULAR WEIGHT: 538.445019
SMILES: C1=CC(=CC=C1/C=C/C2=NN(C=N2)C[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)OCC(C(F)F)(F)F
Structure:
CAS RN: 149715-95-7
CAS Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)-2-propanol
OPENEYE Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
IUPAC Name: (2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-2-[2,4-bis(fluoranyl)phenyl]-1-[3-[(E)-2-[4-[2,2,3,3-tetrakis(fluoranyl)propoxy]phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C24H20F6N6O2
MOLECULAR WEIGHT: 538.445019
SMILES: C1=CC(=CC=C1/C=C/C2=NN(C=N2)C[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)OCC(C(F)F)(F)F
Structure:
CAS RN: 148471-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C57H82O16
MOLECULAR WEIGHT: 1023.25138
SMILES: C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@H](C[C@@H]8[C@@H](O7)C/C=C/C[C@@H]9[C@@H](O8)/C=C\C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)
Structure:
CAS RN: 146763-62-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H64O11
MOLECULAR WEIGHT: 756.96166
SMILES: C[C@@]12C[C@H]3[C@@H](C[C@H]4[C@H](O3)CC[C@H]5[C@](O4)(C[C@]6([C@H](O5)C[C@H]7[C@H](O6)C=C[C@]([C@H](O7)/C=C\C=C/CC=C)(C)O)C)C)O[C@H]1C[C@@H]8[C@@](O2)([C@H](C[C@@H](O8)CCCO)O)C
Structure:
CAS RN: 146445-98-9
CAS Name: (3Z,5S,5aR)-5-hydroxy-3-(hydroxymethylidene)-5a-methyl-8-(1-oxooctyl)-5-[(E)-prop-1-enyl]-4H-furo[2,3-e]benzofuran-2,7-dione
OPENEYE Name: (3Z,5S,5aR)-5-hydroxy-3-(hydroxymethylene)-5a-methyl-8-octanoyl-5-[(E)-prop-1-enyl]-4H-furo[2,3-e]benzofuran-2,7-dione
IUPAC Name: (3Z,5S,5aR)-5-hydroxy-3-(hydroxymethylidene)-5a-methyl-8-octanoyl-5-[(E)-prop-1-enyl]-4H-furo[2,3-e][1]benzofuran-2,7-dione
SYSTEMATIC NAME: (3Z,5S,5aR)-5a-methyl-8-octanoyl-5-oxidanyl-3-(oxidanylmethylidene)-5-[(E)-prop-1-enyl]-4H-furo[2,3-e][1]benzofuran-2,7-dione
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: CCCCCCCC(=O)C1=C2C3=C(C[C@@]([C@@]2(OC1=O)C)(/C=C/C)O)/C(=C/O)/C(=O)O3
Structure:
CAS RN: 145940-30-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18O7
MOLECULAR WEIGHT: 334.32062
SMILES: C/C/1=C\C2(C(=C(C(=O)O2)C)C3C=C(CCC1OC(=O)C)C(=O)O3)O
Structure:
CAS RN: 143881-08-7
CAS Name: 2-[(2R)-1-[(E)-1-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)prop-2-enyl]-2-piperidinyl]acetic acid
OPENEYE Name: 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]-2-piperidyl]acetic acid
IUPAC Name: 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethanoic acid
MOLECULAR FORMULA: C23H23N3O3
MOLECULAR WEIGHT: 389.44702
SMILES: C1CCN([C@H](C1)CC(=O)O)C(=O)/C=C/C2=C3C=CC=CN3N=C2C4=CC=CC=C4
Structure:
CAS RN: 16760-45-5
CAS Name: (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid methyl ester
OPENEYE Name: methyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: methyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: methyl (2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C/C(=C\C(=O)OC)/C)\C
Structure:
CAS RN: 14981-97-6
CAS Name: dysprosium-157
OPENEYE Name: dysprosium-157
IUPAC Name: dysprosium-157
SYSTEMATIC NAME: dysprosium-157
MOLECULAR FORMULA: Dy
MOLECULAR WEIGHT: 156.925461
SMILES: [157Dy]
Structure:
CAS RN: 14709-02-5
CAS Name: cobalt(3+); [4,5-dihydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl phosphat
OPENEYE Name: cobaltic [4,5-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl]
IUPAC Name: cobalt(3+); [4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate
SYSTEMATIC NAME: cobalt(3+); [2-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylami
MOLECULAR FORMULA: C53H80CoN11O15P+
MOLECULAR WEIGHT: 1201.173961
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)O)CO.[Co+3]
Structure:
CAS RN: 203257-87-8
CAS Name: (6aS)-9-acetyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h][2]benzopyran-6,8-dione
OPENEYE Name: (6aS)-9-acetyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h]isochromene-6,8-dione
IUPAC Name: (6aS)-9-acetyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h]isochromene-6,8-dione
SYSTEMATIC NAME: (6aS)-9-ethanoyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h]isochromene-6,8-dione
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: C/C=C/C1=CC2=CC(=O)[C@@]3(C(=C(C(=O)O3)C(=O)C)C2=CO1)C
Structure:
CAS RN: 202855-03-6
CAS Name: (2S)-2-[[(Z)-2-amino-1-oxo-3-(3,4,5-trihydroxyphenyl)prop-2-enyl]amino]-3-(6-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
OPENEYE Name: (2S)-2-[[(Z)-2-amino-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]-3-(6-bromoindolin-3-yl)-N-[(E)-2-(3,4-dihydroxyphenyl)vinyl]propanamide
IUPAC Name: (2S)-2-[[(Z)-2-amino-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]-3-(6-bromo-2,3-dihydro-1H-indol-3-yl)-N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
SYSTEMATIC NAME: (2S)-2-[[(Z)-2-azanyl-3-[3,4,5-tris(oxidanyl)phenyl]prop-2-enoyl]amino]-N-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-3-(6-bromanyl-2,3-dihydro-1H-indol-3-yl)propanamide
MOLECULAR FORMULA: C28H27BrN4O7
MOLECULAR WEIGHT: 611.44058
SMILES: C1C(C2=C(N1)C=C(C=C2)Br)C[C@@H](C(=O)N/C=C/C3=CC(=C(C=C3)O)O)NC(=O)/C(=C/C4=CC(=C(C(=C4)O)O)O)/N
Structure:
CAS RN: 198992-52-8
CAS Name: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]-1,4-benzoquinone
IUPAC Name: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C29H24N2O4
MOLECULAR WEIGHT: 464.51186
SMILES: CC(=C)/C=C/C1=CC2=C(C=C1)NC=C2C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC
Structure:
CAS RN: 198494-48-3
CAS Name: acetic acid [(1S,4E,6S,7R,10E,14S)-6-hydroxy-10,14-dimethyl-7-(1-methylethenyl)-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl ester
OPENEYE Name: [(1S,4E,6S,7R,10E,14S)-6-hydroxy-7-isopropenyl-10,14-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate
IUPAC Name: [(1S,4E,6S,7R,10E,14S)-6-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate
SYSTEMATIC NAME: [(1S,4E,6S,7R,10E,14S)-10,14-dimethyl-6-oxidanyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl ethanoate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C\[C@@H]([C@H](CC1)C(=C)C)O)/COC(=O)C)C
Structure:
CAS RN: 197508-58-0
CAS Name: (2S,3R,4S,5S,6R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H36O10
MOLECULAR WEIGHT: 448.50454
SMILES: CC(=CCC/C(=C\CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O)/C)C
Structure:
CAS RN: 197508-56-8
CAS Name: (E)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-butenenitrile
OPENEYE Name: (E)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]but-2-enenitrile
IUPAC Name: (E)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-2-enenitrile
SYSTEMATIC NAME: (E)-2-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]but-2-enenitrile
MOLECULAR FORMULA: C11H17NO6
MOLECULAR WEIGHT: 259.25578
SMILES: C/C=C(/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)\C#N
Structure:
CAS RN: 191547-12-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H42O9
MOLECULAR WEIGHT: 606.70258
SMILES: CC1=C2[C@H]([C@@H]([C@]3([C@H](C[C@@H](C2(C)C)CC1=O)C(=C)[C@H](C[C@@H]3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 183308-55-6
CAS Name: (2E,4E,6E,8E,10E,12E,14E,16E)-19-methoxy-2-[(1E,3E,5E,7E,9E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7,9-pentaenyl]-7,11,15,19-tetramethyleicosa-2,4,6,8,10,12,14,16-octaenal
OPENEYE Name: (2E,4E,6E,8E,10E,12E,14E,16E)-19-methoxy-2-[(1E,3E,5E,7E,9E)-12-methoxy-4,8,12-trimethyl-trideca-1,3,5,7,9-pentaenyl]-7,11,15,19-tetramethyl-icosa-2,4,6,8,10,12,14,16-octaenal
IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E)-19-methoxy-2-[(1E,3E,5E,7E,9E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7,9-pentaenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,16-octaenal
SYSTEMATIC NAME: (2E,4E,6E,8E,10E,12E,14E,16E)-19-methoxy-2-[(1E,3E,5E,7E,9E)-12-methoxy-4,8,12-trimethyl-trideca-1,3,5,7,9-pentaenyl]-7,11,15,19-tetramethyl-icosa-2,4,6,8,10,12,14,16-octaenal
MOLECULAR FORMULA: C42H58O3
MOLECULAR WEIGHT: 610.90812
SMILES: C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C=O)\C)\C)/C=C/CC(C)(C)OC
Structure:
CAS RN: 181701-88-2
CAS Name: (3E,6E)-9-(6-methoxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2,6-dimethylnona-3,6-dienoic acid
OPENEYE Name: (3E,6E)-9-(6-methoxy-2,8-dimethyl-chroman-2-yl)-2,6-dimethyl-nona-3,6-dienoic acid
IUPAC Name: (3E,6E)-9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-3,6-dienoic acid
SYSTEMATIC NAME: (3E,6E)-9-(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethyl-nona-3,6-dienoic acid
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC1=C2C(=CC(=C1)OC)CCC(O2)(C)CC/C=C(\C)/C/C=C/C(C)C(=O)O
Structure:
CAS RN: 181701-07-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H30O9
MOLECULAR WEIGHT: 498.5217
SMILES: C/C=C(\C)/C(=O)OC1C2=CC3=C(C(=C2C4=C(C5=C(C=C4CC(C1(C)O)C)OCO5)OC)OC)OCO3
Structure:
CAS RN: 181586-07-2
CAS Name: 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester; methanesulfonic acid
OPENEYE Name: (4-carbamimidoylphenyl) 4-[(E)-3-[allyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate; methanesulfonic acid
IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate; methanesulfonic acid
SYSTEMATIC NAME: (4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate; methanesulfonic acid
MOLECULAR FORMULA: C26H31N3O8S
MOLECULAR WEIGHT: 545.60464
SMILES: CCOC(=O)CN(CC=C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C.CS(=O)(=O)O
Structure:
CAS RN: 180713-37-5
CAS Name: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6Z)-3-methyl-7-(1,1,4,4-tetramethyl-7-propoxy-tetralin-6-yl)octa-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C26H36O3
MOLECULAR WEIGHT: 396.56224
SMILES: CCCOC1=CC2=C(C=C1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C
Structure:
CAS RN: 180129-73-1
CAS Name: N-[(E)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine hydrochloride
OPENEYE Name: N-[(E)-3-(3-chloro-4-cyclohexyl-phenyl)allyl]-N-ethyl-cyclohexanamine hydrochloride
IUPAC Name: N-[(E)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine hydrochloride
SYSTEMATIC NAME: N-[(E)-3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-enyl]-N-ethyl-cyclohexanamine hydrochloride
MOLECULAR FORMULA: C23H35Cl2N
MOLECULAR WEIGHT: 396.4367
SMILES: CCN(C/C=C/C1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3.Cl
Structure:
CAS RN: 176654-13-0
CAS Name: (E)-2-(1-hydroxy-2-oxopropyl)-2-hexadecenoic acid methyl ester
OPENEYE Name: methyl (E)-2-(1-hydroxy-2-oxo-propyl)hexadec-2-enoate
IUPAC Name: methyl (E)-2-(1-hydroxy-2-oxopropyl)hexadec-2-enoate
SYSTEMATIC NAME: methyl (E)-2-(1-oxidanyl-2-oxidanylidene-propyl)hexadec-2-enoate
MOLECULAR FORMULA: C20H36O4
MOLECULAR WEIGHT: 340.49744
SMILES: CCCCCCCCCCCCC/C=C(\C(C(=O)C)O)/C(=O)OC
Structure:
CAS RN: 176111-70-9
CAS Name: 2-methyl-4-[(11E,15E)-2,8,19,20-tetrahydroxydotriaconta-11,15-dienyl]-2H-furan-5-one
OPENEYE Name: 2-methyl-4-[(11E,15E)-2,8,19,20-tetrahydroxydotriaconta-11,15-dienyl]-2H-furan-5-one
IUPAC Name: 2-methyl-4-[(11E,15E)-2,8,19,20-tetrahydroxydotriaconta-11,15-dienyl]-2H-furan-5-one
SYSTEMATIC NAME: 2-methyl-4-[(11E,15E)-2,8,19,20-tetrakis(oxidanyl)dotriaconta-11,15-dienyl]-2H-furan-5-one
MOLECULAR FORMULA: C37H66O6
MOLECULAR WEIGHT: 606.91634
SMILES: CCCCCCCCCCCCC(C(CC/C=C/CC/C=C/CCC(CCCCCC(CC1=CC(OC1=O)C)O)O)O)O
Structure:
CAS RN: 175033-15-5
CAS Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxane
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropy
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-car
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-
MOLECULAR FORMULA: C43H66O14
MOLECULAR WEIGHT: 806.97574
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@H]2CC1(C)C)C)O)CO)OC(=O)C
Structure:
CAS RN: 174305-65-8
CAS Name: 2-(dimethylamino)acetic acid [(1S,2Z,7S,10Z,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] ester
OPENEYE Name: [(1S,2Z,7S,10Z,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] 2-(dimethylamino)acetate
IUPAC Name: [(1S,2Z,7S,10Z,12R,13R,15S)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] 2-(dimethylamino)acetate
SYSTEMATIC NAME: [(1S,2Z,7S,10Z,12R,13R,15S)-7-methyl-12-oxidanyl-9-oxidanylidene-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] 2-(dimethylamino)ethanoate
MOLECULAR FORMULA: C20H31NO5
MOLECULAR WEIGHT: 365.46384
SMILES: C[C@H]1CCC/C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C\C(=O)O1)O)OC(=O)CN(C)C
Structure:
CAS RN: 174232-51-0
CAS Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aS,9S,10S,12aR,14bR)-8-acetyloxy-9-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxane
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aS,9S,10S,12aR,14bR)-8-acetoxy-9-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropy
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aS,9S,10S,12aR,14bR)-8-acetyloxy-9-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-car
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aS,9S,10S,12aR,14bR)-8-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-
MOLECULAR FORMULA: C43H66O14
MOLECULAR WEIGHT: 806.97574
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@H]2CC1(C)C)C)OC(=O)C)CO)O
Structure:
CAS RN: 173792-58-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H45NO4
MOLECULAR WEIGHT: 507.704
SMILES: C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@@H]3C(CCC(=C3C)[C@@H]4C=C(C(=O)O4)C)C[C@H]5CCCN=C5/C=C(/[C@H]1O2)\C)/C)O
Structure:
CAS RN: 173268-90-1
CAS Name: (E)-3-phenyl-2-propenoic acid [(2R,3R,4S,5R)-5-(acetyloxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxy-2-oxanyl]oxy]-3-hydroxy-4-[(E)-1-oxo-3-phenylprop-2-enoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R)-5-(acetoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-hydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(E)-3-phenylprop-2-enoyl]oxy-tetrahydrofuran-2-yl]methyl (E)-3-phenylprop-2-enoate
IUPAC Name: [(2R,3R,4S,5R)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-phenylprop-2-enoyl]oxyoxolan-2-yl]methyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5R)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-4-[(E)-3-phenylprop-2-enoyl]oxy-oxolan-2-yl]methyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C38H42O17
MOLECULAR WEIGHT: 770.72988
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC=CC=C3)O)OC(=O)/C=C/C4=CC=CC=C4)COC(=O)C)OC(=O)C)O)OC(=O)C
Structure:
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