[2-methoxy-4-[(E)-3-oxidanylidene-3-phenylmethoxy-prop-1-enyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-phenylmethoxy-prop-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-3-benzyloxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-3-benzoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=CC=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=CC=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H19NO5/c1-27-21-14-17(10-12-22(25)28-16-18-6-3-2-4-7-18)9-11-20(21)29-23(26)19-8-5-13-24-15-19/h2-15H,16H2,1H3/b12-10+