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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-phenylmethoxy-phenyl]methyl]indole-2-carboxylic acid Openeye Name: 1-[[3-benzyloxy-5-(4-carboxyphenyl)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-phenylmethoxyphenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carboxyphenyl)-5-phenylmethoxyphenyl]methyl]indole-2-carboxylic acid Traditional Name: 1-[3-benzoxy-5-(4-carboxyphenyl)benzyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid Formula: C40H35NO5 MolecularWeight: 609.7096

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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)OCC6=CC=CC=C6)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)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C40H35NO5/c1-40(2,3)32-19-17-29(18-20-32)36-34-11-7-8-12-35(34)41(37(36)39(44)45)24-27-21-31(28-13-15-30(16-14-28)38(42)43)23-33(22-27)46-25-26-9-5-4-6-10-26/h4-23H,24-25H2,1-3H3,(H,42,43)(H,44,45)