2-[[4-[2-(carboxycarbonyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid; propan-1-amine

Systemtic Name: 2-[[4-[2-(carboxycarbonyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid; propan-1-amine Openeye Name: 2-[[4-(2-oxalophenyl)phenyl]methyl]pyridine-3-carboxylic acid; propan-1-amine CAS Name: 2-[[4-(2-oxalophenyl)phenyl]methyl]-3-pyridinecarboxylic acid; 1-propanamine IUPAC Name: 2-[[4-(2-oxalophenyl)phenyl]methyl]pyridine-3-carboxylic acid; propan-1-amine Traditional Name: 2-[4-(2-oxalophenyl)benzyl]nicotinic acid; propylamine Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.C1=CC=C(C(=C1)C2=CC=C(C=C2)CC3=C(C=CC=N3)C(=O)O)C(=O)C(=O)O

Isomeric SMILES

CCCN.C1=CC=C(C(=C1)C2=CC=C(C=C2)CC3=C(C=CC=N3)C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C21H15NO5.C3H9N/c23-19(21(26)27)16-5-2-1-4-15(16)14-9-7-13(8-10-14)12-18-17(20(24)25)6-3-11-22-18;1-2-3-4/h1-11H,12H2,(H,24,25)(H,26,27);2-4H2,1H3