tert-butyl 4-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-2-(p-toluidino)ethyl]-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-15-6-8-17(9-7-15)22-18(25)14-23(5)19(26)16-10-12-24(13-11-16)20(27)28-21(2,3)4/h6-9,16H,10-14H2,1-5H3,(H,22,25)