4-chloranyl-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-chloranyl-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-chloro-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-chloro-5-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-chloro-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-chloro-5-[4-(2-chlorobenzyl)piperazino]coumarilic acid Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

InChI

InChI=1S/C20H18Cl2N2O3/c21-15-4-2-1-3-13(15)12-23-7-9-24(10-8-23)16-5-6-17-14(19(16)22)11-18(27-17)20(25)26/h1-6,11H,7-10,12H2,(H,25,26)