[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C=CC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H20N2O3/c1-16(19-5-3-2-4-6-19)14-23-20(24)15-26-21(25)12-11-17-7-9-18(13-22)10-8-17/h2-12,16H,14-15H2,1H3,(H,23,24)/b12-11+/t16-/m1/s1