4-chloranyl-5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-chloranyl-5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-chloro-5-[4-(3-fluorobenzoyl)piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-chloro-5-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-chloro-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-chloro-5-[4-(3-fluorobenzoyl)piperazino]coumarilic acid Formula: C20H16ClFN2O4 MolecularWeight: 402.803443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H16ClFN2O4/c21-18-14-11-17(20(26)27)28-16(14)5-4-15(18)23-6-8-24(9-7-23)19(25)12-2-1-3-13(22)10-12/h1-5,10-11H,6-9H2,(H,26,27)