(phenylmethyl) 6-(4-tert-butylphenyl)-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-(4-tert-butylphenyl)-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 9-benzoyl-6-(4-tert-butylphenyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-benzoyl-6-(4-tert-butylphenyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-benzoyl-6-(4-tert-butylphenyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-benzoyl-6-(4-tert-butylphenyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C37H35NO3 MolecularWeight: 541.6787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3CC(CC4)C(=O)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3CC(CC4)C(=O)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H35NO3/c1-37(2,3)30-18-14-26(15-19-30)28-16-20-33-31(22-28)32-23-29(36(40)41-24-25-10-6-4-7-11-25)17-21-34(32)38(33)35(39)27-12-8-5-9-13-27/h4-16,18-20,22,29H,17,21,23-24H2,1-3H3