[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3-phenylpropanoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3-phenylpropanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C22H22N2O4/c1-27-14-13-24-22(26)19(16-23)15-18-7-10-20(11-8-18)28-21(25)12-9-17-5-3-2-4-6-17/h2-8,10-11,15H,9,12-14H2,1H3,(H,24,26)/b19-15+