2-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]-4-methyl-piperazine-1-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]-4-methyl-piperazine-1-carboxylic acid Openeye Name: 2-(5-chlorobenzofuran-2-carbonyl)-4-methyl-piperazine-1-carboxylic acid CAS Name: 2-[(5-chloro-2-benzofuranyl)-oxomethyl]-4-methyl-1-piperazinecarboxylic acid IUPAC Name: 2-(5-chloro-1-benzofuran-2-carbonyl)-4-methylpiperazine-1-carboxylic acid Traditional Name: 2-(5-chlorobenzofuran-2-carbonyl)-4-methyl-piperazine-1-carboxylic acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CN1CCN(C(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O4/c1-17-4-5-18(15(20)21)11(8-17)14(19)13-7-9-6-10(16)2-3-12(9)22-13/h2-3,6-7,11H,4-5,8H2,1H3,(H,20,21)