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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(C(C)C)C(=O)O)C

InChI

InChI=1S/C18H27N3O3/c1-12(2)16(17(22)23)19-18(24)21-10-8-20(9-11-21)15-7-5-6-13(3)14(15)4/h5-7,12,16H,8-11H2,1-4H3,(H,19,24)(H,22,23)