CAS RN: 58997-92-5
CAS Name: (Z)-2-butenedioic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
OPENEYE Name: [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C26H33NO9
MOLECULAR WEIGHT: 503.54152
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 75847-73-3
CAS Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H28N2O5
MOLECULAR WEIGHT: 376.44672
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 76095-16-4
CAS Name: (Z)-2-butenedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C24H32N2O9
MOLECULAR WEIGHT: 492.51888
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 76420-75-2
CAS Name: (Z)-2-butenedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C24H32N2O9
MOLECULAR WEIGHT: 492.51888
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 79-61-8
CAS Name: acetic acid [2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-bis(chloranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H28Cl2O5
MOLECULAR WEIGHT: 455.37142
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)O
Structure:
CAS RN: 654653-93-7
CAS Name: (1R,2S)-1-(6-bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthalenyl)-1-phenyl-2-butanol
OPENEYE Name: (1R,2S)-1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol
IUPAC Name: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SYSTEMATIC NAME: (1R,2S)-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenyl-butan-2-ol
MOLECULAR FORMULA: C32H31BrN2O2
MOLECULAR WEIGHT: 555.50474
SMILES: CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
Structure:
CAS RN: 58895-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26ClNO3
MOLECULAR WEIGHT: 375.88904
SMILES: C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl
Structure:
CAS RN: 14158-27-1
CAS Name: strontium-89
OPENEYE Name: strontium-89
IUPAC Name: strontium-89
SYSTEMATIC NAME: strontium-89
MOLECULAR FORMULA: Sr
MOLECULAR WEIGHT: 88.907453
SMILES: [89Sr]
Structure:
CAS RN: 20672-06-4
CAS Name: strontium-89
OPENEYE Name: strontium-89
IUPAC Name: strontium-89
SYSTEMATIC NAME: strontium-89
MOLECULAR FORMULA: Sr
MOLECULAR WEIGHT: 88.907453
SMILES: [89Sr]
Structure:
CAS RN: 31083-24-6
CAS Name: strontium-89
OPENEYE Name: strontium-89
IUPAC Name: strontium-89
SYSTEMATIC NAME: strontium-89
MOLECULAR FORMULA: Sr
MOLECULAR WEIGHT: 88.907453
SMILES: [89Sr]
Structure:
CAS RN: 70805-83-3
CAS Name: (Z)-9,10-ditritio-9-octadecenoic acid 2,3-bis[(Z)-1-oxo-9,10-ditritiooctadec-9-enoxy]propyl ester
OPENEYE Name: 2,3-bis[[(Z)-9,10-ditritiooctadec-9-enoyl]oxy]propyl (Z)-9,10-ditritiooctadec-9-enoate
IUPAC Name: 2,3-bis[[(Z)-9,10-ditritiooctadec-9-enoyl]oxy]propyl (Z)-9,10-ditritiooctadec-9-enoate
SYSTEMATIC NAME: 2,3-bis[[(Z)-9,10-ditritiooctadec-9-enoyl]oxy]propyl (Z)-9,10-ditritiooctadec-9-enoate
MOLECULAR FORMULA: C57H104O6
MOLECULAR WEIGHT: 897.480716
SMILES: [3H]/C(=C(/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C(=C(\CCCCCCCC)/[3H])/[3H])COC(=O)CCCCCCC/C(=C(\CCCCCCCC)/[3H])/[3H])\[3H])/CCCCCCCC
Structure:
CAS RN: 144181-12-4
CAS Name: (E)-2-butenedioic acid; 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(2-oxiranylmethylamino)anthracene-9,10-dione
OPENEYE Name: 1-[[3-(diethylamino)-2-hydroxy-propyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[[3-(diethylamino)-2-oxidanyl-propyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C28H33N3O8
MOLECULAR WEIGHT: 539.57692
SMILES: CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 28149-62-4
CAS Name: N-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]acetamide
OPENEYE Name: N-[4-[(Z)-2-cyano-2-phenyl-vinyl]phenyl]acetamide
IUPAC Name: N-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(Z)-2-cyano-2-phenyl-ethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2
Structure:
CAS RN: 18654-18-7
CAS Name: 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid
OPENEYE Name: 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid
IUPAC Name: 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: C=CC/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
Structure:
CAS RN: 134029-49-5
CAS Name: 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
OPENEYE Name: 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)vinyl]benzene
IUPAC Name: 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C18H20O4
MOLECULAR WEIGHT: 300.349
SMILES: COC1=CC=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 139874-44-5
CAS Name: (E)-3-[3-methyl-5-(3-methylbut-2-enyl)-4-imidazolyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
IUPAC Name: methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CC(=CCC1=C(N(C=N1)C)/C=C/C(=O)OC)C
Structure:
CAS RN: 135383-64-1
CAS Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
OPENEYE Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)allyl]-1H-pyrrole-2-carboxamide
IUPAC Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: N-[(E)-3-(2-azanyl-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C11H13N5O
MOLECULAR WEIGHT: 231.25382
SMILES: C1=CNC(=C1)C(=O)NC/C=C/C2=CN=C(N2)N
Structure:
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