[4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OC(=O)C3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)OC(=O)C3CC3

InChI

InChI=1S/C23H22N2O4/c1-28-21-14-17(7-10-20(21)29-23(27)18-8-9-18)13-19(15-24)22(26)25-12-11-16-5-3-2-4-6-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,25,26)/b19-13+