CAS RN: 909-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@H]([C@H](C(O4)C)C)O
Structure:
CAS RN: 91809-17-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H](C(O4)C)C)O
Structure:
CAS RN: 909-14-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H](C(O4)C)C)O
Structure:
CAS RN: 161811-59-2
CAS Name: 2-bromo-8-hydroxy-6-methylnaphthalene-1,4-dione
OPENEYE Name: 2-bromo-8-hydroxy-6-methyl-naphthalene-1,4-dione
IUPAC Name: 2-bromo-8-hydroxy-6-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-bromanyl-6-methyl-8-oxidanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C11H7BrO3
MOLECULAR WEIGHT: 267.07548
SMILES: CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)Br)O
Structure:
CAS RN: 20296-21-3
CAS Name: (2-oxo-1-benzopyran-7-yl) dihydrogen phosphate
OPENEYE Name: (2-oxochromen-7-yl) dihydrogen phosphate
IUPAC Name: (2-oxochromen-7-yl) dihydrogen phosphate
SYSTEMATIC NAME: (2-oxidanylidenechromen-7-yl) dihydrogen phosphate
MOLECULAR FORMULA: C9H7O6P
MOLECULAR WEIGHT: 242.122041
SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OP(=O)(O)O
Structure:
CAS RN: 10290-96-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H44O18
MOLECULAR WEIGHT: 704.67026
SMILES: CC1CCC2C1[C@@H](OC=C2C(=O)O[C@@H]3[C@H]4[C@](O4)(C5C3C=CO[C@H]5OC6C(C(C(C(O6)CO)O)O)O)CO)OC7C(C(C(C(O7)CO)O)O)O
Structure:
CAS RN: 36431-84-2
CAS Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O
Structure:
CAS RN: 362-07-2
CAS Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (8R,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O
Structure:
CAS RN: 109802-17-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H8BrN3O
MOLECULAR WEIGHT: 362.17962
SMILES: C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1
Structure:
CAS RN: 102434-04-8
CAS Name: 1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-3-methylurea
OPENEYE Name: 1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-3-methyl-urea
IUPAC Name: 1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-3-methyl-urea
MOLECULAR FORMULA: C12H23N3O
MOLECULAR WEIGHT: 225.33052
SMILES: CNC(=O)NCCN1CC2CCC(C1)CC2
Structure:
CAS RN: 94882-03-8
CAS Name: 4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine iodide
OPENEYE Name: 4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine iodide
IUPAC Name: 4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine iodide
SYSTEMATIC NAME: 4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine iodide
MOLECULAR FORMULA: C11H21IN2O
MOLECULAR WEIGHT: 324.20171
SMILES: C[N+]1(CCC(=CC1)N2CCOCC2)C.[I-]
Structure:
CAS RN: 102233-24-9
CAS Name: N-methylcarbamic acid [1-methoxy-3-[4-(2-methylphenyl)-1-piperazinyl]propan-2-yl] ester
OPENEYE Name: [1-(methoxymethyl)-2-[4-(o-tolyl)piperazin-1-yl]ethyl] N-methylcarbamate
IUPAC Name: [1-methoxy-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl] N-methylcarbamate
SYSTEMATIC NAME: [1-methoxy-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl] N-methylcarbamate
MOLECULAR FORMULA: C17H27N3O3
MOLECULAR WEIGHT: 321.41458
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(COC)OC(=O)NC
Structure:
CAS RN: 93033-98-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)O
Structure:
CAS RN: 96714-43-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CC1=CC2=C3C(=C1)CCCN3CCC2.Cl
Structure:
CAS RN: 102612-99-7
CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-11-[[11-[(4-hydroxy-3-methoxyphenyl)methylamino]-11-oxoundecyl]disulfanyl]undecanamide
OPENEYE Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-11-[[11-[(4-hydroxy-3-methoxy-phenyl)methylamino]-11-oxo-undecyl]disulfanyl]undecanamide
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-11-[[11-[(4-hydroxy-3-methoxyphenyl)methylamino]-11-oxoundecyl]disulfanyl]undecanamide
SYSTEMATIC NAME: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-11-[[11-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-11-oxidanylidene-undecyl]disulfanyl]undecanamide
MOLECULAR FORMULA: C38H60N2O6S2
MOLECULAR WEIGHT: 705.0228
SMILES: COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 102366-87-0
CAS Name: 3-[4-(1,4-dicyanobutan-2-yl)-1-piperazinyl]hexanedinitrile
OPENEYE Name: 3-[4-[3-cyano-1-(cyanomethyl)propyl]piperazin-1-yl]hexanedinitrile
IUPAC Name: 3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
SYSTEMATIC NAME: 3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
MOLECULAR FORMULA: C16H22N6
MOLECULAR WEIGHT: 298.38608
SMILES: C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N
Structure:
CAS RN: 153931-78-3
CAS Name: 8,11-dimethoxy-7,7-dimethyl-5,6-dihydrotetrazolo[5,1-a][2]benzazepine
OPENEYE Name: 8,11-dimethoxy-7,7-dimethyl-5,6-dihydrotetrazolo[5,1-a][2]benzazepine
IUPAC Name: 8,11-dimethoxy-7,7-dimethyl-5,6-dihydrotetrazolo[5,1-a][2]benzazepine
SYSTEMATIC NAME: 8,11-dimethoxy-7,7-dimethyl-5,6-dihydro-[1,2,3,4]tetrazolo[5,1-a][2]benzazepine
MOLECULAR FORMULA: C14H18N4O2
MOLECULAR WEIGHT: 274.31832
SMILES: CC1(CCN2C(=NN=N2)C3=C(C=CC(=C31)OC)OC)C
Structure:
CAS RN: 120028-82-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36O9
MOLECULAR WEIGHT: 492.55864
SMILES: CC(=O)O[C@H]1CC2CC3(C1C4([C@H](C([C@@H]3OC(=O)C)O)C([C@H](CC4OC(=O)C)O)(C)C)C)C(=O)C2=C
Structure:
CAS RN: 57186-25-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H33NO4
MOLECULAR WEIGHT: 435.55522
SMILES: C[C@]12CCC3C(=CC(=O)[C@H](O3)C(C)(C)O)C1(CC[C@@H]4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
Structure:
CAS RN: 66161-54-4
CAS Name: 9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
OPENEYE Name: 9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
IUPAC Name: 9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: 9-[(9R)-2-carboxy-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracene-2-carboxylic acid
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
Structure:
CAS RN: 160595-32-4
CAS Name: benzoic acid (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester
OPENEYE Name: (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate
IUPAC Name: (6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate
SYSTEMATIC NAME: (6-acetamido-5-azanylidene-7-methyl-8-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate
MOLECULAR FORMULA: C20H18N4O4
MOLECULAR WEIGHT: 378.38132
SMILES: CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C
Structure:
CAS RN: 74542-82-8
CAS Name: buta-2,3-dien-2-yl(trimethyl)silane
OPENEYE Name: trimethyl(1-methylpropa-1,2-dienyl)silane
IUPAC Name: buta-2,3-dien-2-yl(trimethyl)silane
SYSTEMATIC NAME: buta-2,3-dien-2-yl(trimethyl)silane
MOLECULAR FORMULA: C7H14Si
MOLECULAR WEIGHT: 126.27156
SMILES: CC(=C=C)[Si](C)(C)C
Structure:
CAS RN: 102601-40-1
CAS Name: pyridine; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
OPENEYE Name: pyridine; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
IUPAC Name: pyridine; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
SYSTEMATIC NAME: pyridine; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
MOLECULAR FORMULA: C25H29NO4
MOLECULAR WEIGHT: 407.50206
SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O.C1=CC=NC=C1
Structure:
CAS RN: 13717-84-5
CAS Name: 1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
OPENEYE Name: 1-(allyloxymethyl)pyrimidine-2,4-dione
IUPAC Name: 1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: C=CCOCN1C=CC(=O)NC1=O
Structure:
CAS RN: 152490-67-0
CAS Name: (6aS,11aS)-3,8-dimethoxy-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
OPENEYE Name: (6aS,11aS)-9-benzyloxy-3,8-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene
IUPAC Name: (6aS,11aS)-3,8-dimethoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SYSTEMATIC NAME: (6aS,11aS)-3,8-dimethoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
MOLECULAR FORMULA: C24H22O5
MOLECULAR WEIGHT: 390.42848
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C(C=C4O3)OCC5=CC=CC=C5)OC
Structure:
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