tert-butyl 9-(phenylcarbonyl)-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: tert-butyl 9-(phenylcarbonyl)-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: tert-butyl 9-benzoyl-6-benzyloxy-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-benzoyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-benzoyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 6-benzoxy-9-benzoyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid tert-butyl ester Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCC2=C1C3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCC2=C1C3=C(N2C(=O)C4=CC=CC=C4)C=CC(=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C31H31NO4/c1-31(2,3)36-30(34)24-15-10-16-27-28(24)25-19-23(35-20-21-11-6-4-7-12-21)17-18-26(25)32(27)29(33)22-13-8-5-9-14-22/h4-9,11-14,17-19,24H,10,15-16,20H2,1-3H3