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

Systemtic Name: (phenylmethyl) 9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(4-methylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-p-toluoyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(C(CCC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C52

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(C(CCC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C52

InChI

InChI=1S/C28H25NO3/c1-19-14-16-21(17-15-19)27(30)29-24-12-6-5-10-22(24)26-23(11-7-13-25(26)29)28(31)32-18-20-8-3-2-4-9-20/h2-6,8-10,12,14-17,23H,7,11,13,18H2,1H3