[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-16(2)17(3)23-20(25)15-28-22(27)19-11-13-24(14-12-19)21(26)10-9-18-7-5-4-6-8-18/h4-10,16-17,19H,11-15H2,1-3H3,(H,23,25)/b10-9+