[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C(=CC2=CC=C(C=C2)C(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15(2)18-9-7-17(8-10-18)12-19(13-22)21(25)26-14-20(24)23-11-5-4-6-16(23)3/h7-10,12,15-16H,4-6,11,14H2,1-3H3/b19-12+/t16-/m0/s1