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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-16(18-6-4-3-5-7-18)14-24-21(25)15-28-22(26)19(13-23)12-17-8-10-20(27-2)11-9-17/h3-12,16H,14-15H2,1-2H3,(H,24,25)/b19-12+/t16-/m1/s1