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

Systemtic Name: (phenylmethyl) 3-(3-oxidanylidene-4-pyridin-3-yloxy-cyclohexa-1,5-dien-1-yl)propanoate Openeye Name: benzyl 3-[3-oxo-4-(3-pyridyloxy)cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[3-oxo-4-(3-pyridinyloxy)-1-cyclohexa-1,5-dienyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-oxo-4-pyridin-3-yloxycyclohexa-1,5-dien-1-yl)propanoate Traditional Name: 3-[3-keto-4-(3-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=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC2=CC(=O)C(C=C2)OC3=CN=CC=C3

InChI

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