methyl 1-[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-2-cyano-3-(p-tolyl)acryloyl]oxyacetyl]isonipecotic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C20H22N2O5/c1-14-3-5-15(6-4-14)11-17(12-21)20(25)27-13-18(23)22-9-7-16(8-10-22)19(24)26-2/h3-6,11,16H,7-10,13H2,1-2H3/b17-11+