[4-[(Z)-2-cyano-3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(Z)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(Z)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(Z)-2-cyano-3-keto-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)N[C@H](C)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H22N2O4/c1-4-27-21-13-17(10-11-20(21)28-16(3)25)12-19(14-23)22(26)24-15(2)18-8-6-5-7-9-18/h5-13,15H,4H2,1-3H3,(H,24,26)/b19-12-/t15-/m1/s1