[5-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl]methyl ethanoate

Systemtic Name: [5-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl]methyl ethanoate Openeye Name: [5-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl]methyl acetate CAS Name: acetic acid [5-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxyphenyl]methyl ester IUPAC Name: [5-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxyphenyl]methyl acetate Traditional Name: acetic acid [5-[(E)-2-cyano-3-keto-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-benzyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC(=O)C)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)COC(=O)C)/C#N

InChI

InChI=1S/C22H22N2O4/c1-15(18-7-5-4-6-8-18)24-22(26)19(13-23)11-17-9-10-21(27-3)20(12-17)14-28-16(2)25/h4-12,15H,14H2,1-3H3,(H,24,26)/b19-11+