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

Systemtic Name: O1-tert-butyl O4-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-14-7-6-8-17(13-14)22-18(24)15(2)27-19(25)16-9-11-23(12-10-16)20(26)28-21(3,4)5/h6-8,13,15-16H,9-12H2,1-5H3,(H,22,24)/t15-/m0/s1