[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C20H22N2O4/c1-2-3-4-5-19(24)22-17-8-6-15(7-9-17)18(23)14-26-20(25)16-10-12-21-13-11-16/h6-13H,2-5,14H2,1H3,(H,22,24)