2-[[3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[3-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid Openeye Name: 2-[[3-[3-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid CAS Name: 2-[[3-[3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]phenyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[3-[3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-[3-(2-amino-3-hydroxy-3-keto-propyl)phenyl]benzyl]nicotinic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=C(C=CC=N2)C(=O)O)C3=CC(=CC=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)CC2=C(C=CC=N2)C(=O)O)C3=CC(=CC=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H20N2O4/c23-19(22(27)28)12-14-4-1-6-16(10-14)17-7-2-5-15(11-17)13-20-18(21(25)26)8-3-9-24-20/h1-11,19H,12-13,23H2,(H,25,26)(H,27,28)