4-(4-chloranyl-2-methoxycarbonyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-chloranyl-2-methoxycarbonyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-chloro-2-methoxycarbonyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-chloro-2-methoxycarbonylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-chloro-2-methoxycarbonylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-carbomethoxy-4-chloro-phenyl)piperazine-1-carboxylic acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C13H15ClN2O4/c1-20-12(17)10-8-9(14)2-3-11(10)15-4-6-16(7-5-15)13(18)19/h2-3,8H,4-7H2,1H3,(H,18,19)