(phenylmethyl) 3-(3-oxidanylidene-4-pyridin-2-yloxy-cyclohexa-1,5-dien-1-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(3-oxidanylidene-4-pyridin-2-yloxy-cyclohexa-1,5-dien-1-yl)propanoate Openeye Name: benzyl 3-[3-oxo-4-(2-pyridyloxy)cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[3-oxo-4-(2-pyridinyloxy)-1-cyclohexa-1,5-dienyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-oxo-4-pyridin-2-yloxycyclohexa-1,5-dien-1-yl)propanoate Traditional Name: 3-[3-keto-4-(2-pyridyloxy)cyclohexa-1,5-dien-1-yl]propionic acid benzyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC2=CC(=O)C(C=C2)OC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC2=CC(=O)C(C=C2)OC3=CC=CC=N3

InChI

InChI=1S/C21H19NO4/c23-18-14-16(9-11-19(18)26-20-8-4-5-13-22-20)10-12-21(24)25-15-17-6-2-1-3-7-17/h1-9,11,13-14,19H,10,12,15H2