2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-11(2)14(15(21)22)18-16(23)20-8-6-19(7-9-20)13-5-3-4-12(17)10-13/h3-5,10-11,14H,6-9H2,1-2H3,(H,18,23)(H,21,22)