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

Systemtic Name: tert-butyl 4-[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(4-chloroanilino)-2-oxo-ethyl]-methyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(4-chloroanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-chloroanilino)-2-keto-ethyl]-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)Cl

InChI

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