3-[3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]-2-phenyl-cyclopentene-1-carboxylic acid

Systemtic Name: 3-[3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]-2-phenyl-cyclopentene-1-carboxylic acid Openeye Name: 3-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenyl-cyclopentene-1-carboxylic acid CAS Name: 3-[3-chloro-4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]phenyl]-2-phenyl-1-cyclopentenecarboxylic acid IUPAC Name: 3-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylcyclopentene-1-carboxylic acid Traditional Name: 3-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenyl-cyclopentene-1-carboxylic acid Formula: C31H25ClN2O3 MolecularWeight: 508.9948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CC(=C(C1C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C31H25ClN2O3/c32-27-17-21(24-14-15-26(31(36)37)29(24)20-7-2-1-3-8-20)12-13-25(27)30(35)34-19-23-10-6-16-33(23)18-22-9-4-5-11-28(22)34/h1-13,16-17,24H,14-15,18-19H2,(H,36,37)