[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-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-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-18-14-19(2)16-22(15-18)26-23(28)17-31-25(30)21-10-12-27(13-11-21)24(29)9-8-20-6-4-3-5-7-20/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,26,28)/b9-8+