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

Systemtic Name: methyl 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]oxyacetyl]isonipecotic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-23(2)18-6-4-15(5-7-18)12-17(13-22)21(27)29-14-19(25)24-10-8-16(9-11-24)20(26)28-3/h4-7,12,16H,8-11,14H2,1-3H3/b17-12+