[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H27FN2O4 MolecularWeight: 426.480583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H27FN2O4/c1-3-17-7-4-6-16(2)22(17)26-21(28)15-31-24(30)19-8-5-13-27(14-19)23(29)18-9-11-20(25)12-10-18/h4,6-7,9-12,19H,3,5,8,13-15H2,1-2H3,(H,26,28)