(phenylmethyl) 6-methoxy-9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-methoxy-9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-methoxy-9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-methoxy-9-[(4-methylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methoxy-9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-methoxy-9-p-toluoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)OC

InChI

InChI=1S/C29H27NO4/c1-19-8-10-21(11-9-19)28(31)30-26-14-12-22(29(32)34-18-20-6-4-3-5-7-20)16-24(26)25-17-23(33-2)13-15-27(25)30/h3-11,13,15,17,22H,12,14,16,18H2,1-2H3