tert-butyl 9-(4-phenylmethoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: tert-butyl 9-(4-phenylmethoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: tert-butyl 9-(4-benzyloxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[oxo-(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(4-phenylmethoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-(4-benzoxybenzoyl)-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=CC=CC=C3N2C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCC2=C1C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

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