[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C24H26FN3O5 MolecularWeight: 455.478743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN3O5/c1-15-3-8-20(16(2)13-15)26-24(32)27-21(29)14-33-23(31)18-9-11-28(12-10-18)22(30)17-4-6-19(25)7-5-17/h3-8,13,18H,9-12,14H2,1-2H3,(H2,26,27,29,32)