[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-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 [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4/c1-18-8-7-9-19(2)24(18)27-25(30)20(3)32-26(31)22-14-16-28(17-15-22)23(29)13-12-21-10-5-4-6-11-21/h4-13,20,22H,14-17H2,1-3H3,(H,27,30)/b13-12+