[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C22H28N2O4/c1-3-27-20-12-10-17(11-13-20)14-18(15-23)22(26)28-16(2)21(25)24-19-8-6-4-5-7-9-19/h10-14,16,19H,3-9H2,1-2H3,(H,24,25)/b18-14+/t16-/m1/s1