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

Systemtic Name: (phenylmethyl) 9-(4-tert-butylphenyl)carbonyl-6-(diethylamino)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-(4-tert-butylbenzoyl)-6-(diethylamino)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(4-tert-butylphenyl)-oxomethyl]-6-(diethylamino)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(4-tert-butylbenzoyl)-6-(diethylamino)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-(4-tert-butylbenzoyl)-6-(diethylamino)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C35H40N2O3 MolecularWeight: 536.7037

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C35H40N2O3/c1-6-36(7-2)27-20-21-30-29(22-27)32-28(34(39)40-23-24-12-9-8-10-13-24)14-11-15-31(32)37(30)33(38)25-16-18-26(19-17-25)35(3,4)5/h8-10,12-13,16-22,28H,6-7,11,14-15,23H2,1-5H3