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

Systemtic Name: (4-bromophenyl)methyl 9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: (4-bromophenyl)methyl 9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[(4-methylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-p-toluoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (4-bromobenzyl) ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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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=C(C=C4)Br)C5=CC=CC=C52

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=C(C=C4)Br)C5=CC=CC=C52

InChI

InChI=1S/C28H24BrNO3/c1-18-6-10-20(11-7-18)27(31)30-25-5-3-2-4-23(25)24-16-21(12-15-26(24)30)28(32)33-17-19-8-13-22(29)14-9-19/h2-11,13-14,21H,12,15-17H2,1H3