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

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-4-methyl-6-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-4-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-2-ethyl-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

InChI

InChI=1S/C25H22N2O4/c1-3-18-13-21-15(2)12-22(25(30)31)26-23(21)27(18)14-16-8-10-17(11-9-16)19-6-4-5-7-20(19)24(28)29/h4-13H,3,14H2,1-2H3,(H,28,29)(H,30,31)