4-chloranyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-chloranyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-chloro-5-[4-(3-pyridylmethyl)piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-chloro-5-[4-(3-pyridinylmethyl)-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-chloro-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-chloro-5-[4-(3-pyridylmethyl)piperazino]coumarilic acid Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Cl

InChI

InChI=1S/C19H18ClN3O3/c20-18-14-10-17(19(24)25)26-16(14)4-3-15(18)23-8-6-22(7-9-23)12-13-2-1-5-21-11-13/h1-5,10-11H,6-9,12H2,(H,24,25)