[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-3-24(4-2)22(26)21(19-8-6-5-7-9-19)27-20(25)15-14-17-10-12-18(16-23)13-11-17/h5-15,21H,3-4H2,1-2H3/b15-14+/t21-/m0/s1