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

Systemtic Name: 3-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]butanoic acid IUPAC Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-butyric acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-13(2)15(16(21)22)18-17(23)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,23)(H,21,22)