4-(4-chloranyl-3-ethoxycarbonyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-chloranyl-3-ethoxycarbonyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-chloro-3-ethoxycarbonyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-chloro-3-ethoxycarbonylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-chloro-3-ethoxycarbonylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-carbethoxy-4-chloro-phenyl)piperazine-1-carboxylic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-2-21-13(18)11-9-10(3-4-12(11)15)16-5-7-17(8-6-16)14(19)20/h3-4,9H,2,5-8H2,1H3,(H,19,20)