O1-tert-butyl O4-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H29FN2O5 MolecularWeight: 408.463763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H29FN2O5/c1-13-6-7-16(12-17(13)22)23-18(25)14(2)28-19(26)15-8-10-24(11-9-15)20(27)29-21(3,4)5/h6-7,12,14-15H,8-11H2,1-5H3,(H,23,25)/t14-/m0/s1