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

Systemtic Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Openeye Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid CAS Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-6-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid Traditional Name: 2-butyl-1-[4-(2-carboxyphenyl)benzyl]-4-methyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=C(C=C2C)C(=O)O

InChI

InChI=1S/C27H26N2O4/c1-3-4-7-20-15-23-17(2)14-24(27(32)33)28-25(23)29(20)16-18-10-12-19(13-11-18)21-8-5-6-9-22(21)26(30)31/h5-6,8-15H,3-4,7,16H2,1-2H3,(H,30,31)(H,32,33)