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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-oxidanyl-phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-hydroxy-phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-hydroxyphenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-hydroxyphenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-carboxyphenyl)-5-hydroxy-benzyl]indole-2-carboxylic acid Formula: C33H29NO5 MolecularWeight: 519.58706

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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)O)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)O)C(=O)O

InChI

InChI=1S/C33H29NO5/c1-33(2,3)25-14-12-22(13-15-25)29-27-6-4-5-7-28(27)34(30(29)32(38)39)19-20-16-24(18-26(35)17-20)21-8-10-23(11-9-21)31(36)37/h4-18,35H,19H2,1-3H3,(H,36,37)(H,38,39)