(phenylmethyl) 6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-tert-butyl-9-[(4-hexoxyphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C37H43NO4 MolecularWeight: 565.74162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)C(C)(C)C

InChI

InChI=1S/C37H43NO4/c1-5-6-7-11-22-41-30-18-14-27(15-19-30)35(39)38-33-20-16-28(36(40)42-25-26-12-9-8-10-13-26)23-31(33)32-24-29(37(2,3)4)17-21-34(32)38/h8-10,12-15,17-19,21,24,28H,5-7,11,16,20,22-23,25H2,1-4H3