[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-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-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C24H25FN2O4 MolecularWeight: 424.464703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O4/c1-17-7-9-20(15-21(17)25)26-22(28)16-31-24(30)19-11-13-27(14-12-19)23(29)10-8-18-5-3-2-4-6-18/h2-10,15,19H,11-14,16H2,1H3,(H,26,28)/b10-8+