ethyl 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-2-acetamido-3-(3,4-dimethoxyphenyl)acryloyl]isonipecotic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2)OC)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C=C2)OC)OC)/NC(=O)C

InChI

InChI=1S/C21H28N2O6/c1-5-29-21(26)16-8-10-23(11-9-16)20(25)17(22-14(2)24)12-15-6-7-18(27-3)19(13-15)28-4/h6-7,12-13,16H,5,8-11H2,1-4H3,(H,22,24)/b17-12+