[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C26H25FN2O4S/c1-17-4-10-20(11-5-17)29-24(31)13-12-21(25(29)22-3-2-14-34-22)26(32)33-16-23(30)28-15-18-6-8-19(27)9-7-18/h2-11,14,21,25H,12-13,15-16H2,1H3,(H,28,30)