[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H27NO4/c1-3-24-18-12-9-16(10-13-18)11-14-19(22)25-15(2)20(23)21-17-7-5-4-6-8-17/h9-15,17H,3-8H2,1-2H3,(H,21,23)/b14-11+/t15-/m0/s1