4-[2-(5-cyano-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(5-cyano-2-phenylmethoxy-phenyl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 4-[2-(2-benzyloxy-5-cyano-phenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 4-[2-(5-cyano-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 4-[2-(5-cyano-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 4-[2-(2-benzoxy-5-cyano-phenyl)ethyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)CCC3=C(C(=O)NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)CCC3=C(C(=O)NC=C3)C(=O)O

InChI

InChI=1S/C22H18N2O4/c23-13-16-6-9-19(28-14-15-4-2-1-3-5-15)18(12-16)8-7-17-10-11-24-21(25)20(17)22(26)27/h1-6,9-12H,7-8,14H2,(H,24,25)(H,26,27)