4-(4-azanyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-azanyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-amino-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-amino-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-amino-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-amino-2-methyl-phenyl)piperazine-1-carboxylic acid Formula: C12H17N3O2 MolecularWeight: 235.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-9-8-10(13)2-3-11(9)14-4-6-15(7-5-14)12(16)17/h2-3,8H,4-7,13H2,1H3,(H,16,17)