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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methyl-valeric acid Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3/c1-3-12(2)15(16(22)23)19-17(24)21-9-7-20(8-10-21)14-6-4-5-13(18)11-14/h4-6,11-12,15H,3,7-10H2,1-2H3,(H,19,24)(H,22,23)