4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(5-chloro-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(5-chloro-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxylic acid Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C12H15ClN2O2/c1-9-2-3-10(13)8-11(9)14-4-6-15(7-5-14)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)