6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 6-tert-butyl-9-[(4-hexoxyphenyl)-oxomethyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C31H37NO6 MolecularWeight: 519.62858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO6/c1-5-6-7-8-17-38-22-12-9-20(10-13-22)27(33)32-25-14-11-21(30(2,3)4)18-23(25)24-19-31(28(34)35,29(36)37)16-15-26(24)32/h9-14,18H,5-8,15-17,19H2,1-4H3,(H,34,35)(H,36,37)