[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H29FN2O4 MolecularWeight: 392.464363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C21H29FN2O4/c1-13(2)19(23-20(26)16-7-5-6-8-17(16)22)21(27)28-12-18(25)24-10-14(3)9-15(4)11-24/h5-8,13-15,19H,9-12H2,1-4H3,(H,23,26)