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

Systemtic Name: ethyl 1-[2-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-2-cyano-3-(4-methoxyphenyl)acryloyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-3-28-20(25)16-8-10-23(11-9-16)19(24)14-29-21(26)17(13-22)12-15-4-6-18(27-2)7-5-15/h4-7,12,16H,3,8-11,14H2,1-2H3/b17-12+