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

Systemtic Name: (phenylmethyl) 9-(4-tert-butylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 9-(4-tert-butylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[(4-tert-butylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(4-tert-butylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-(4-tert-butylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO3/c1-31(2,3)24-16-13-22(14-17-24)29(33)32-27-12-8-7-11-25(27)26-19-23(15-18-28(26)32)30(34)35-20-21-9-5-4-6-10-21/h4-14,16-17,23H,15,18-20H2,1-3H3