3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-methoxy-phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-methoxy-phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-methoxy-phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-methoxyphenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-methoxyphenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-carboxyphenyl)-5-methoxy-benzyl]indole-2-carboxylic acid Formula: C34H31NO5 MolecularWeight: 533.61364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)C5=CC=C(C=C5)C(=O)O)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)C5=CC=C(C=C5)C(=O)O)OC)C(=O)O

InChI

InChI=1S/C34H31NO5/c1-34(2,3)26-15-13-23(14-16-26)30-28-7-5-6-8-29(28)35(31(30)33(38)39)20-21-17-25(19-27(18-21)40-4)22-9-11-24(12-10-22)32(36)37/h5-19H,20H2,1-4H3,(H,36,37)(H,38,39)