[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H20N2O4/c1-27-19-9-5-6-15(13-19)12-17(14-23)22(26)28-20(16-7-3-2-4-8-16)21(25)24-18-10-11-18/h2-9,12-13,18,20H,10-11H2,1H3,(H,24,25)/b17-12+/t20-/m1/s1