(phenylmethyl) 9-(4-chlorophenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: (phenylmethyl) 9-(4-chlorophenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-(4-chlorobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(4-chlorophenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(4-chlorobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-(4-chlorobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C2=C(C1)N(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22ClNO3/c28-20-15-13-19(14-16-20)26(30)29-23-11-5-4-9-21(23)25-22(10-6-12-24(25)29)27(31)32-17-18-7-2-1-3-8-18/h1-5,7-9,11,13-16,22H,6,10,12,17H2