[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]-2-methoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C25H21N3O4/c1-17-5-3-7-20(11-17)25(30)32-22-9-8-18(13-23(22)31-2)12-21(14-26)24(29)28-16-19-6-4-10-27-15-19/h3-13,15H,16H2,1-2H3,(H,28,29)/b21-12+