1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-2-propyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-2-propyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-2-propyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-2-propyl-6-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-2-propylpyrrolo[2,3-b]pyridine-6-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-4-methyl-2-propyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

Isomeric SMILES

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

InChI

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