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

Systemtic Name: ethyl 1-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N

InChI

InChI=1S/C22H27N3O5/c1-4-29-21(27)17-9-11-25(12-10-17)20(26)15-30-22(28)18(14-23)13-16-5-7-19(8-6-16)24(2)3/h5-8,13,17H,4,9-12,15H2,1-3H3/b18-13+