CAS RN: 33171-16-3
CAS Name: (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
OPENEYE Name: (1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
SYSTEMATIC NAME: (1E,6E)-1-(4-hydroxyphenyl)-7-(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
Structure:
CAS RN: 162520-00-5
CAS Name: 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid
OPENEYE Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
IUPAC Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
MOLECULAR FORMULA: C22H30O2S
MOLECULAR WEIGHT: 358.5374
SMILES: CC(=CCC/C(=C/CC/C(=C/CSC1=CC=CC=C1C(=O)O)/C)/C)C
Structure:
CAS RN: 160893-90-3
CAS Name: (E)-2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C18H13N3O2S
MOLECULAR WEIGHT: 335.37972
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N
Structure:
CAS RN: 160893-87-8
CAS Name: (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C18H12N4O2
MOLECULAR WEIGHT: 316.31348
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NN=C(O2)C3=CC=CC=C3
Structure:
CAS RN: 116383-34-7
CAS Name: 6-[6-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 6-[6-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2,3-dihydroxy-phenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 6-[6-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 6-[6-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2,3-bis(oxidanyl)phenyl]-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H18O12
MOLECULAR WEIGHT: 570.45672
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
Structure:
CAS RN: 139266-42-5
CAS Name: (2E)-2-[4-chloro-5-(4-methoxyphenyl)-3-oxo-2-furanylidene]acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-[4-chloro-5-(4-methoxyphenyl)-3-oxo-2-furylidene]acetate
IUPAC Name: methyl (2E)-2-[4-chloro-5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-[4-chloranyl-5-(4-methoxyphenyl)-3-oxidanylidene-furan-2-ylidene]ethanoate
MOLECULAR FORMULA: C14H11ClO5
MOLECULAR WEIGHT: 294.68714
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)/C(=C\C(=O)OC)/O2)Cl
Structure:
CAS RN: 139266-40-3
CAS Name: (2E)-2-[4-bromo-5-(4-bromophenyl)-3-oxo-2-furanylidene]acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-[4-bromo-5-(4-bromophenyl)-3-oxo-2-furylidene]acetate
IUPAC Name: methyl (2E)-2-[4-bromo-5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-[4-bromanyl-5-(4-bromophenyl)-3-oxidanylidene-furan-2-ylidene]ethanoate
MOLECULAR FORMULA: C13H8Br2O4
MOLECULAR WEIGHT: 388.00822
SMILES: COC(=O)/C=C/1\C(=O)C(=C(O1)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 139266-41-4
CAS Name: (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxo-2-furanylidene]acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-[4-chloro-3-oxo-5-(p-tolyl)-2-furylidene]acetate
IUPAC Name: methyl (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-[4-chloranyl-5-(4-methylphenyl)-3-oxidanylidene-furan-2-ylidene]ethanoate
MOLECULAR FORMULA: C14H11ClO4
MOLECULAR WEIGHT: 278.68774
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)/C(=C\C(=O)OC)/O2)Cl
Structure:
CAS RN: 78111-17-8
CAS Name: (2S)-3-[(10S)-4-[(E,2R)-4-[(4R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5
OPENEYE Name: (2S)-3-[(10S)-4-[(E,1R)-3-[(4R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-7-hydroxy-2-methyl-5,11-dio
IUPAC Name: (2S)-3-[(10S)-4-[(E,2R)-4-[(4R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5
SYSTEMATIC NAME: (2S)-3-[(10S)-4-[(E,2R)-4-[(4R,8aR)-2-[(3S)-3-[(6S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-7-oxidanyl-5,11-dioxasp
MOLECULAR FORMULA: C44H68O13
MOLECULAR WEIGHT: 805.00292
SMILES: CC1CC[C@]2(CCCCO2)OC1[C@@H](C)CC(C3C(=C)[C@H](C4[C@H](O3)CCC5(O4)CCC(O5)/C=C/[C@@H](C)C6CC(=CC7(O6)C(CC[C@H](O7)C[C@@](C)(C(=O)O)O)O)C)O)O
Structure:
CAS RN: 61682-29-9
CAS Name: 3,5,6,7-tetrahydro-2H-s-indacen-1-one oxime
OPENEYE Name: 3,5,6,7-tetrahydro-2H-s-indacen-1-one oxime
IUPAC Name: (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
SYSTEMATIC NAME: (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: C1CC2=C(C1)C=C\3C(=C2)CC/C3=N/O
Structure:
CAS RN: 178870-04-7
CAS Name: N-[3-[[(E)-but-2-enyl]thio]-4-chlorophenyl]-2-methyl-3-thiophenecarbothioamide
OPENEYE Name: N-[3-[(E)-but-2-enyl]sulfanyl-4-chloro-phenyl]-2-methyl-thiophene-3-carbothioamide
IUPAC Name: N-[3-[(E)-but-2-enyl]sulfanyl-4-chlorophenyl]-2-methylthiophene-3-carbothioamide
SYSTEMATIC NAME: N-[3-[(E)-but-2-enyl]sulfanyl-4-chloranyl-phenyl]-2-methyl-thiophene-3-carbothioamide
MOLECULAR FORMULA: C16H16ClNS3
MOLECULAR WEIGHT: 353.95294
SMILES: C/C=C/CSC1=C(C=CC(=C1)NC(=S)C2=C(SC=C2)C)Cl
Structure:
CAS RN: 128629-27-6
CAS Name: (3E)-3-[[(2-chlorophenyl)methylamino]-hydroxymethylidene]-1H-quinoline-2,4-dione
OPENEYE Name: (3E)-3-[[(2-chlorophenyl)methylamino]-hydroxy-methylene]-1H-quinoline-2,4-dione
IUPAC Name: (3E)-3-[[(2-chlorophenyl)methylamino]-hydroxymethylidene]-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3E)-3-[[(2-chlorophenyl)methylamino]-oxidanyl-methylidene]-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C17H13ClN2O3
MOLECULAR WEIGHT: 328.74972
SMILES: C1=CC=C(C(=C1)CN/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O)Cl
Structure:
CAS RN: 15486-34-7
CAS Name: 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3,7-dimethoxy-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC
Structure:
CAS RN: 97180-83-1
CAS Name: (2E)-2-(4-methyl-3-oxo-5-phenyl-2-furanylidene)acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-(4-methyl-3-oxo-5-phenyl-2-furylidene)acetate
IUPAC Name: methyl (2E)-2-(4-methyl-3-oxo-5-phenylfuran-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2E)-2-(4-methyl-3-oxidanylidene-5-phenyl-furan-2-ylidene)ethanoate
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: CC1=C(O/C(=C/C(=O)OC)/C1=O)C2=CC=CC=C2
Structure:
CAS RN: 10309-37-2
CAS Name: 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol
OPENEYE Name: 4-[(1E,3S)-3,7-dimethyl-3-vinyl-octa-1,6-dienyl]phenol
IUPAC Name: 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol
SYSTEMATIC NAME: 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-octa-1,6-dienyl]phenol
MOLECULAR FORMULA: C18H24O
MOLECULAR WEIGHT: 256.38256
SMILES: CC(=CCC[C@@](C)(C=C)/C=C/C1=CC=C(C=C1)O)C
Structure:
CAS RN: 4946-95-6
CAS Name: 2',6'-dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione
OPENEYE Name: 2',6'-dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione
IUPAC Name: 2',6'-dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione
SYSTEMATIC NAME: 2',6'-bis(bromanyl)spiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione
MOLECULAR FORMULA: C15H9Br2N3O3
MOLECULAR WEIGHT: 439.05826
SMILES: C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)N=CN4
Structure:
CAS RN: 136173-26-7
CAS Name: (E)-2-(hydroxymethyl)-2-butenoic acid [(1S,7R)-7-[(Z)-2-methyl-1-oxobut-2-enoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(1S,7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(1S,7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(1S,7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)/C(=C/C)/CO
Structure:
CAS RN: 77448-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@]2(C(=O)C=C(O2)/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)C
Structure:
CAS RN: 97564-91-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H70O14
MOLECULAR WEIGHT: 859.0503
SMILES: C[C@H]1CCO[C@]([C@H]1O)([C@H]2C[C@H]3[C@@H](O2)/C=C/C(=C/[C@H](C[C@@]4(CC[C@H](O4)[C@@]56CC[C@@](O5)(C[C@H](O6)[C@H]7C(=O)C[C@](O7)([C@H]([C@H]8CC[C@]9(O8)CCC[C@@H](O9)[C@@H](C(=O)O3)C)O)C)C)C)C)/C)O
Structure:
CAS RN: 180045-56-1
CAS Name: 1-[3-(dimethylamino)propyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]urea
OPENEYE Name: 1-[3-(dimethylamino)propyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]urea
MOLECULAR FORMULA: C13H20N4O2
MOLECULAR WEIGHT: 264.3235
SMILES: CN(C)CCCNC(=O)NNC=C1C=CC(=O)C=C1
Structure:
CAS RN: 136831-48-6
CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(3,4-dimethoxyphenyl)-2-(3-pyridyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-prop-2-enenitrile
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CN=CC=C2)OC
Structure:
CAS RN: 149286-90-8
CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(3,4-dimethoxyphenyl)-2-(3-pyridyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-prop-2-enenitrile
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CN=CC=C2)OC
Structure:
CAS RN: 54286-39-4
CAS Name: (E)-2-butenedioic acid; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
OPENEYE Name: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-methyl-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
MOLECULAR FORMULA: C31H37FN4O8
MOLECULAR WEIGHT: 612.645883
SMILES: CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 102504-98-3
CAS Name: (E)-2-butenedioic acid; 2-methyl-4-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: fumaric acid; 2-methyl-4-phenyl-8-[3-[2-(2-thienyl)-1,3-dioxolan-2-yl]propyl]-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-4-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyl-4-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C28H35N3O7S
MOLECULAR WEIGHT: 557.6584
SMILES: CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=CS4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 101932-02-9
CAS Name: (Z)-2-cyclopentyl-2-hydroxy-3-hexenoic acid (1-prop-2-enyl-4-piperidinyl) ester
OPENEYE Name: (1-allyl-4-piperidyl) (Z)-2-cyclopentyl-2-hydroxy-hex-3-enoate
IUPAC Name: (1-prop-2-enylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxyhex-3-enoate
SYSTEMATIC NAME: (1-prop-2-enylpiperidin-4-yl) (Z)-2-cyclopentyl-2-oxidanyl-hex-3-enoate
MOLECULAR FORMULA: C19H31NO3
MOLECULAR WEIGHT: 321.45434
SMILES: CC/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O
Structure:
CAS RN: 92956-35-9
CAS Name: (Z)-2-cyclopentyl-2-hydroxy-5-methyl-3-hexenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl (Z)-2-cyclopentyl-2-hydroxy-5-methyl-hex-3-enoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (Z)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl (Z)-2-cyclopentyl-5-methyl-2-oxidanyl-hex-3-enoate
MOLECULAR FORMULA: C19H31NO3
MOLECULAR WEIGHT: 321.45434
SMILES: CC(C)/C=C\C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
Structure:
CAS RN: 101932-03-0
CAS Name: (Z)-2-cyclopentyl-2-hydroxy-3-hexenoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) (Z)-2-cyclopentyl-2-hydroxy-hex-3-enoate
IUPAC Name: (1-methylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxyhex-3-enoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) (Z)-2-cyclopentyl-2-oxidanyl-hex-3-enoate
MOLECULAR FORMULA: C17H29NO3
MOLECULAR WEIGHT: 295.41706
SMILES: CC/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
Structure:
CAS RN: 182186-21-6
CAS Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[(8-hydroxy-5-sulfo-7-quinolinyl)-oxomethyl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-oxomethyl]-5-quinolinesulfonic acid
OPENEYE Name: 8-hydroxy-7-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfo-quinoline-7-carbonyl)amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid
IUPAC Name: 8-hydroxy-7-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfoquinoline-7-carbonyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]quinoline-5-sulfonic acid
SYSTEMATIC NAME: 8-oxidanyl-7-[[4-[(E)-2-[4-[(8-oxidanyl-5-sulfo-quinolin-7-yl)carbonylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid
MOLECULAR FORMULA: C34H24N4O16S4
MOLECULAR WEIGHT: 872.83156
SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
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