CAS RN: 118550-34-8
CAS Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)-2-butanol
OPENEYE Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
IUPAC Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SYSTEMATIC NAME: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
MOLECULAR FORMULA: C16H20ClN3O
MOLECULAR WEIGHT: 305.8025
SMILES: CC(C)(C1CC1)[C@](CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 103171-42-2
CAS Name: disodium 2-[[5-[carboxylatomethoxy(oxo)methyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]-oxomethoxy]acetate
OPENEYE Name: disodium 2-[5-(carboxylatomethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxyacetate
IUPAC Name: disodium 2-[5-(carboxylatomethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxyacetate
SYSTEMATIC NAME: disodium 2-[[2,6-dimethyl-5-(2-oxidanidyl-2-oxidanylidene-ethoxy)carbonyl-1,4-dihydropyridin-3-yl]carbonyloxy]ethanoate
MOLECULAR FORMULA: C13H13NNa2O8
MOLECULAR WEIGHT: 357.22376
SMILES: CC1=C(CC(=C(N1)C)C(=O)OCC(=O)[O-])C(=O)OCC(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 67920-94-9
CAS Name: 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid [(2R,3R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-
OPENEYE Name: [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxo-ethyl)amino]-3-methyl-5-oxo
IUPAC Name: [(2R,3R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: [(2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-3-methyl-3-oxida
MOLECULAR FORMULA: C39H65NO11
MOLECULAR WEIGHT: 723.9335
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
Structure:
CAS RN: 103141-09-9
CAS Name: N-(4-methoxyphenyl)-1-phenyl-3-pyrazolamine
OPENEYE Name: N-(4-methoxyphenyl)-1-phenyl-pyrazol-3-amine
IUPAC Name: N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 103137-94-6
CAS Name: (2S)-2-[[[2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-[[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-[[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-[[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C16H28N4O5
MOLECULAR WEIGHT: 356.41732
SMILES: C[C@@H](C(=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)NC
Structure:
CAS RN: 103122-89-0
CAS Name: (3S)-3-[[2-[[2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[2-[[(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C25H33N7O9
MOLECULAR WEIGHT: 575.57102
SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N
Structure:
CAS RN: 67919-67-9
CAS Name: 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid [(2R,3R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-
OPENEYE Name: [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxo-ethyl)amino]-3-methyl-5-oxo
IUPAC Name: [(2R,3R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: [(2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-2,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-3-methyl-3-oxida
MOLECULAR FORMULA: C39H65NO11
MOLECULAR WEIGHT: 723.9335
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
Structure:
CAS RN: 67919-41-9
CAS Name: (2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
OPENEYE Name: (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
IUPAC Name: (2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
SYSTEMATIC NAME: (2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
MOLECULAR FORMULA: C30H52O6
MOLECULAR WEIGHT: 508.73028
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
Structure:
CAS RN: 103122-85-6
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C11H17N4O14P3
MOLECULAR WEIGHT: 522.192363
SMILES: C1=C(NC(=O)C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
Structure:
CAS RN: 103122-78-7
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4S)-4-amino-3-hydroxy-6-methyl-1-oxoheptyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4H-imida
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[[(4S)-4-amino-3-hydroxy-6-methyl-heptanoyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-1-[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4S)-4-amino-3-hydroxy-6-methylheptanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4H-imidazol
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4S)-4-azanyl-6-methyl-3-oxidanyl-heptanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylide
MOLECULAR FORMULA: C54H75N13O9
MOLECULAR WEIGHT: 1050.255
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)CC([C@H](CC(C)C)N)O)NC(=O)[C@H](CC2C=NC=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5C=NC=N5)NC(=O)[C@@H]6CCCN6
Structure:
CAS RN: 67907-20-4
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
OPENEYE Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
IUPAC Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
SYSTEMATIC NAME: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-11-oxidanyl-10-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
MOLECULAR FORMULA: C35H54O11
MOLECULAR WEIGHT: 650.79666
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O
Structure:
CAS RN: 65647-65-6
CAS Name: 5,5,5-trichloro-4-methyl-2-[methyl-(4,4,4-trichloro-3-methyl-1-oxobutyl)amino]-N-[1-(2-thiazolyl)ethyl]pentanamide
OPENEYE Name: 5,5,5-trichloro-4-methyl-2-[methyl-(4,4,4-trichloro-3-methyl-butanoyl)amino]-N-(1-thiazol-2-ylethyl)pentanamide
IUPAC Name: 5,5,5-trichloro-4-methyl-2-[methyl-(4,4,4-trichloro-3-methylbutanoyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
SYSTEMATIC NAME: 5,5,5-tris(chloranyl)-4-methyl-2-[methyl-[4,4,4-tris(chloranyl)-3-methyl-butanoyl]amino]-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
MOLECULAR FORMULA: C17H23Cl6N3O2S
MOLECULAR WEIGHT: 546.16642
SMILES: CC(CC(C(=O)NC(C)C1=NC=CS1)N(C)C(=O)CC(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 103088-69-3
CAS Name: (2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-[2-[(2-nitrophenyl)thio]-1H-indol-3-yl]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C23H27N5O5S
MOLECULAR WEIGHT: 485.55598
SMILES: C1=CC=C2C(=C1)C(=C(N2)SC3=CC=CC=C3[N+](=O)[O-])C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 103078-28-0
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-[[(2S,3R,4S,5R,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)-4-oxanyl]oxy]-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-2-o
OPENEYE Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(2R,3R,4S,5R,6S)-3,5-diacetoxy-6-[(2S,3R,4S,5R,6R)-2,3,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methox
IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-[(2S,3R,4S,5R,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl ace
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-[(2S,3R,4S,5R,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxy]oxan-2-yl]methyl et
MOLECULAR FORMULA: C52H70O35
MOLECULAR WEIGHT: 1255.0912
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O
Structure:
CAS RN: 103304-52-5
CAS Name: N,N-dimethyl-2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethanamine
OPENEYE Name: N,N-dimethyl-2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethanamine
IUPAC Name: N,N-dimethyl-2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethanamine
MOLECULAR FORMULA: C27H29NO
MOLECULAR WEIGHT: 383.52526
SMILES: CN(C)CCOC1=CC=C(C=C1)C2=C(CCCC3=CC=CC=C32)C4=CC=CC=C4
Structure:
CAS RN: 103295-92-7
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[1-oxo-2-(propan-2-ylsulfamoyl)ethyl]-1,4-dihydropyridine-3-carboxylic acid 2-propoxyethyl ester
OPENEYE Name: 2-propoxyethyl 5-[2-(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
IUPAC Name: 2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)acetyl]-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: 2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)ethanoyl]-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C24H33N3O8S
MOLECULAR WEIGHT: 523.59912
SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)NC(C)C)C)C
Structure:
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