CAS RN: 124689-64-1
CAS Name: (13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
OPENEYE Name: (13Z)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(E)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
IUPAC Name: (13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
SYSTEMATIC NAME: (13Z)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
MOLECULAR FORMULA: C35H43ClN2O7
MOLECULAR WEIGHT: 639.17812
SMILES: CC1CNC(=O)C(NC(=O)/C=C\CC(OC(=O)C(OC1=O)CC(C)C)C(C)/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl
Structure:
CAS RN: 124654-22-4
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[(E)-3-iodoprop-2-enyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-2-[(E)-3-iodoallyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[(E)-3-iodoprop-2-enyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-[(E)-3-iodanylprop-2-enyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C26H29FIN3O2
MOLECULAR WEIGHT: 561.430233
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)C/C=C/I)CCCC(=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 124578-04-7
CAS Name: (5Z)-N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide
OPENEYE Name: (5Z)-N-(3,5-dichloro-4-hydroxy-phenyl)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide
IUPAC Name: (5Z)-N-(3,5-dichloro-4-hydroxyphenyl)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide
SYSTEMATIC NAME: (5Z)-N-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5-[4-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanamide
MOLECULAR FORMULA: C28H35Cl2NO4
MOLECULAR WEIGHT: 520.4878
SMILES: CC#CCC(C)C(/C=C/C1C(CC2C1C/C(=C\CCCC(=O)NC3=CC(=C(C(=C3)Cl)O)Cl)/C2)O)O
Structure:
CAS RN: 124576-72-3
CAS Name: 2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid
OPENEYE Name: 2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxy-benzoic acid
IUPAC Name: 2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-oxidanyl-benzoic acid
MOLECULAR FORMULA: C24H34O3
MOLECULAR WEIGHT: 370.52496
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Structure:
CAS RN: 91147-86-3
CAS Name: (2S)-2-[N-acetyl-4-[(2E,4E)-4-[4-[acetyl-[(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]phenyl]hexa-2,4-dien-3-yl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
OPENEYE Name: (2S)-2-[N-acetyl-4-[(E,1E)-2-[4-[acetyl-[(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxy-ethyl]amino]phenyl]-1-ethylidene-but-2-enyl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
IUPAC Name: (2S)-2-[N-acetyl-4-[(2E,4E)-4-[4-[acetyl-[(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]phenyl]hexa-2,4-dien-3-yl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[4-[(2E,4E)-4-[4-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-ethanoyl-amino]phenyl]hexa-2,4-dien-3-yl]phenyl]-ethanoyl-amino]propanoic acid
MOLECULAR FORMULA: C48H54Cl4N4O6
MOLECULAR WEIGHT: 924.77756
SMILES: C/C=C(/C(=C/C)/C1=CC=C(C=C1)N(C(=O)C)[C@H](C(=O)O)CC2=CC=C(C=C2)N(CCCl)CCCl)\C3=CC=C(C=C3)N(C(=O)C)[C@H](C(=O)O)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 124412-59-5
CAS Name: 2-amino-3-hydroxy-2-[3-[(E)-10-oxohexadec-2-enyl]-2-oxiranyl]propanoic acid
OPENEYE Name: 2-amino-3-hydroxy-2-[3-[(E)-10-oxohexadec-2-enyl]oxiran-2-yl]propanoic acid
IUPAC Name: 2-amino-3-hydroxy-2-[3-[(E)-10-oxohexadec-2-enyl]oxiran-2-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-oxidanyl-2-[3-[(E)-10-oxidanylidenehexadec-2-enyl]oxiran-2-yl]propanoic acid
MOLECULAR FORMULA: C21H37NO5
MOLECULAR WEIGHT: 383.52218
SMILES: CCCCCCC(=O)CCCCCC/C=C/CC1C(O1)C(CO)(C(=O)O)N
Structure:
CAS RN: 90780-52-2
CAS Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
OPENEYE Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
IUPAC Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
SYSTEMATIC NAME: (4Z,7Z,10Z,13Z,15E,19Z)-17-oxidanyldocosa-4,7,10,13,15,19-hexaenoic acid
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O
Structure:
CAS RN: 124409-58-1
CAS Name: (1R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylenecyclohex-3-ene-1,3-diol
OPENEYE Name: (1R)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylene-cyclohex-3-ene-1,3-diol
IUPAC Name: (1R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidenecyclohex-3-ene-1,3-diol
SYSTEMATIC NAME: (1R)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidene-cyclohex-3-ene-1,3-diol
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: C[C@H](CCCC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\CC3C=C(C[C@H](C3=C)O)O)C
Structure:
CAS RN: 124345-22-8
CAS Name: hexadecanoic acid [(2R)-2-[1-oxo-3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propoxy]-3-phosphonooxypropyl] ester
OPENEYE Name: [(2R)-2-[3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoyloxy]-3-phosphonooxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-[3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoyloxy]-3-phosphonooxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-[3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoyloxy]-3-phosphonooxy-propyl] hexadecanoate
MOLECULAR FORMULA: C40H57O8P
MOLECULAR WEIGHT: 696.849541
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=CC=C2
Structure:
CAS RN: 124194-25-8
CAS Name: N-[2-[[(Z)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[(Z)-1-(methylcarbamoyl)-2-phenyl-vinyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[2-[[(Z)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[[(Z)-3-(methylamino)-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C17H23N3O4
MOLECULAR WEIGHT: 333.38222
SMILES: CC(C)(C)OC(=O)NCC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NC
Structure:
CAS RN: 124166-26-3
CAS Name: (3E)-7,8-dihydroxy-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (3E)-7,8-dihydroxy-3-[(4-methoxyphenyl)methylene]chroman-4-one
IUPAC Name: (3E)-7,8-dihydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SYSTEMATIC NAME: (3E)-3-[(4-methoxyphenyl)methylidene]-7,8-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=CC(=C3O)O
Structure:
CAS RN: 108387-51-5
CAS Name: (3Z,5S)-3-[(2E)-2-[(1S,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylene-1-cyclohexanone
OPENEYE Name: (3Z,5S)-3-[(2E)-2-[(1S,3aS,7aR)-1-[(1R,4S)-5-hydroxy-1,4,5-trimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylene-cyclohexanone
IUPAC Name: (3Z,5S)-3-[(2E)-2-[(1S,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexan-1-one
SYSTEMATIC NAME: (3Z,5S)-3-[(2E)-2-[(1S,3aS,7aR)-1-[(2R,5S)-5,6-dimethyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: C[C@H](CC[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CC(=O)C3=C)O)C
Structure:
CAS RN: 123963-52-0
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-9-hydroxy-9-methyldec-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-8-hydroxy-1,8-dimethyl-non-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[(E)-9-hydroxy-9-methyldec-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-9-methyl-9-oxidanyl-dec-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: CC(/C=C/CCCCC(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 108354-15-0
CAS Name: (5E)-6,10-dimethyl-2-(4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-5-ium-2-yl)-2-undeca-5,9-dienol
OPENEYE Name: (5E)-6,10-dimethyl-2-(4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-5-ium-2-yl)undeca-5,9-dien-2-ol
IUPAC Name: (5E)-6,10-dimethyl-2-(4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-5-ium-2-yl)undeca-5,9-dien-2-ol
SYSTEMATIC NAME: (5E)-6,10-dimethyl-2-(4-methyl-5-oxidanidyl-1,2-dihydrofuro[2,3-c]quinolin-5-ium-2-yl)undeca-5,9-dien-2-ol
MOLECULAR FORMULA: C25H33NO3
MOLECULAR WEIGHT: 395.53442
SMILES: CC1=[N+](C2=CC=CC=C2C3=C1OC(C3)C(C)(CC/C=C(\C)/CCC=C(C)C)O)[O-]
Structure:
CAS RN: 108354-14-9
CAS Name: 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-quinolinone
OPENEYE Name: 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one
IUPAC Name: 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one
SYSTEMATIC NAME: 2-methyl-1-oxidanyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-4-one
MOLECULAR FORMULA: C25H33NO2
MOLECULAR WEIGHT: 379.53502
SMILES: CC1=C(C(=O)C2=CC=CC=C2N1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 124154-20-7
CAS Name: [(2R)-2,3-bis[1-oxo-10-[(2E,4E)-1-oxohexa-2,4-dienoxy]decoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2,3-bis[10-[(2E,4E)-hexa-2,4-dienoyl]oxydecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C40H68NO12P
MOLECULAR WEIGHT: 785.941181
SMILES: C/C=C/C=C/C(=O)OCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCOC(=O)/C=C/C=C/C
Structure:
CAS RN: 108354-12-7
CAS Name: 2-methyl-1-oxido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3-quinolin-1-iumol
OPENEYE Name: 2-methyl-1-oxido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-3-ol
IUPAC Name: 2-methyl-1-oxido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-3-ol
SYSTEMATIC NAME: 2-methyl-1-oxidanidyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-3-ol
MOLECULAR FORMULA: C25H33NO2
MOLECULAR WEIGHT: 379.53502
SMILES: CC1=[N+](C2=CC=CC=C2C(=C1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[O-]
Structure:
CAS RN: 108351-52-6
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]tetradeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]tetradeca-2,4-dienamide
MOLECULAR FORMULA: C29H48N4O6
MOLECULAR WEIGHT: 548.71462
SMILES: CCCCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)C)O
Structure:
CAS RN: 108351-43-5
CAS Name: (2S,3R)-2-amino-3-hydroxy-N-[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]butanamide
OPENEYE Name: (2S,3R)-2-amino-3-hydroxy-N-[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]butanamide
IUPAC Name: (2S,3R)-2-amino-3-hydroxy-N-[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]butanamide
SYSTEMATIC NAME: (2S,3R)-2-azanyl-N-[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]-3-oxidanyl-butanamide
MOLECULAR FORMULA: C15H26N4O5
MOLECULAR WEIGHT: 342.39074
SMILES: C[C@H]1/C=C\C(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)N)O
Structure:
CAS RN: 108345-00-2
CAS Name: (6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-heptanol
OPENEYE Name: (6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
IUPAC Name: (6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SYSTEMATIC NAME: (6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
MOLECULAR FORMULA: C27H43N3O
MOLECULAR WEIGHT: 425.64982
SMILES: C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)N=[N+]=[N-])C
Structure:
CAS RN: 108340-69-8
CAS Name: (2S)-2-aminopentanoic acid [(2S)-2-amino-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]-1-oxopropyl] ester
OPENEYE Name: [(2S)-2-amino-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoyl] (2S)-2-aminopentanoate
IUPAC Name: [(2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl] (2S)-2-aminopentanoate
SYSTEMATIC NAME: [(2S)-2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl] (2S)-2-azanylpentanoate
MOLECULAR FORMULA: C13H21N3O6
MOLECULAR WEIGHT: 315.32234
SMILES: CCC[C@@H](C(=O)OC(=O)[C@H](CNC(=O)/C=C/C(=O)OC)N)N
Structure:
CAS RN: 124043-51-2
CAS Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,1R,4S)-4-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5,6-dimethyl-5-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: C[C@H](/C=C/[C@](C)(C(C)C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C
Structure:
CAS RN: 123992-85-8
CAS Name: (E,3R,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-4-heptene-1,2,3-triol
OPENEYE Name: (E,3R,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol
IUPAC Name: (E,3R,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
SYSTEMATIC NAME: (E,3R,6R)-6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol
MOLECULAR FORMULA: C28H44O4
MOLECULAR WEIGHT: 444.64656
SMILES: C[C@H](/C=C/[C@](C)(C(C)(CO)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Structure:
CAS RN: 123949-57-5
CAS Name: 6-hydroxy-8-isocyano-8-[(Z)-1-isocyano-2-(4-methoxyphenyl)ethenyl]-3-bicyclo[4.2.0]oct-4-enone
OPENEYE Name: 6-hydroxy-8-isocyano-8-[(Z)-1-isocyano-2-(4-methoxyphenyl)vinyl]bicyclo[4.2.0]oct-4-en-3-one
IUPAC Name: 6-hydroxy-8-isocyano-8-[(Z)-1-isocyano-2-(4-methoxyphenyl)ethenyl]bicyclo[4.2.0]oct-4-en-3-one
SYSTEMATIC NAME: 8-isocyano-8-[(Z)-1-isocyano-2-(4-methoxyphenyl)ethenyl]-6-oxidanyl-bicyclo[4.2.0]oct-4-en-3-one
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: COC1=CC=C(C=C1)/C=C(/C2(CC3(C2CC(=O)C=C3)O)[N+]#[C-])\[N+]#[C-]
Structure:
CAS RN: 123852-99-3
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(E)-3-[4-(1-imidazolylmethyl)phenyl]prop-2-enyl] ester O3-methyl ester
OPENEYE Name: O5-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]allyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C29H28N4O6
MOLECULAR WEIGHT: 528.55582
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=C(C=C2)CN3C=CN=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 106647-71-6
CAS Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(1R)-5-ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-bis(fluoranyl)-6-oxidanyl-octan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46F2O3
MOLECULAR WEIGHT: 480.670546
SMILES: CCC(CC)(C(CC[C@@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C)(F)F)O
Structure:
CAS RN: 123836-13-5
CAS Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(1R)-5-ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyl-5,5-bis(fluoranyl)-6-oxidanyl-octan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46F2O3
MOLECULAR WEIGHT: 480.670546
SMILES: CCC(CC)(C(CC[C@@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C)(F)F)O
Structure:
CAS RN: 108074-44-8
CAS Name: 4-[(E)-2-nitroethenyl]benzene-1,2-diol
OPENEYE Name: 4-[(E)-2-nitrovinyl]benzene-1,2-diol
IUPAC Name: 4-[(E)-2-nitroethenyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(E)-2-nitroethenyl]benzene-1,2-diol
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: C1=CC(=C(C=C1/C=C/[N+](=O)[O-])O)O
Structure:
CAS RN: 123594-77-4
CAS Name: N-methyl-N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
OPENEYE Name: N-methyl-N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
IUPAC Name: N-methyl-N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
SYSTEMATIC NAME: N-methyl-N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
MOLECULAR FORMULA: C31H53N
MOLECULAR WEIGHT: 439.75922
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCCN(C)C1CC1)/C)/C)C
Structure:
CAS RN: 123594-76-3
CAS Name: N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
OPENEYE Name: N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
IUPAC Name: N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
SYSTEMATIC NAME: N-[(4Z,8Z,12Z,16Z)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]cyclopropanamine
MOLECULAR FORMULA: C30H51N
MOLECULAR WEIGHT: 425.73264
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCCNC1CC1)/C)/C)C
Structure:
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