2-butyl-1-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]indole-7-carboxylic acid

Systemtic Name: 2-butyl-1-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]indole-7-carboxylic acid Openeye Name: 2-butyl-1-[[6-(2-carboxyphenyl)-3-pyridyl]methyl]indole-7-carboxylic acid CAS Name: 2-butyl-1-[[6-(2-carboxyphenyl)-3-pyridinyl]methyl]-7-indolecarboxylic acid IUPAC Name: 2-butyl-1-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]indole-7-carboxylic acid Traditional Name: 2-butyl-1-[[6-(2-carboxyphenyl)-3-pyridyl]methyl]indole-7-carboxylic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O)C(=CC=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O)C(=CC=C2)C(=O)O

InChI

InChI=1S/C26H24N2O4/c1-2-3-8-19-14-18-7-6-11-22(26(31)32)24(18)28(19)16-17-12-13-23(27-15-17)20-9-4-5-10-21(20)25(29)30/h4-7,9-15H,2-3,8,16H2,1H3,(H,29,30)(H,31,32)