[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C20H24N2O3/c1-3-18-6-4-5-11-22(18)19(23)14-25-20(24)17(13-21)12-16-9-7-15(2)8-10-16/h7-10,12,18H,3-6,11,14H2,1-2H3/b17-12+/t18-/m0/s1