tert-butyl 3-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28ClN3O4/c1-13-15(21)8-5-9-16(13)23-17(25)11-22-18(26)14-7-6-10-24(12-14)19(27)28-20(2,3)4/h5,8-9,14H,6-7,10-12H2,1-4H3,(H,22,26)(H,23,25)