tert-butyl 4-[4-[(4-chlorophenyl)carbonylamino]butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-chlorophenyl)carbonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-chlorobenzoyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-chlorobenzoyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-chlorobenzoyl)amino]butanoyl]piperazine-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)N1CCN(CC1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H28ClN3O4/c1-20(2,3)28-19(27)24-13-11-23(12-14-24)17(25)5-4-10-22-18(26)15-6-8-16(21)9-7-15/h6-9H,4-5,10-14H2,1-3H3,(H,22,26)