2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]benzoic acid Formula: C19H18ClFN2O3 MolecularWeight: 376.809223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18ClFN2O3/c20-16-6-3-7-17(21)15(16)12-22-8-10-23(11-9-22)18(24)13-4-1-2-5-14(13)19(25)26/h1-7H,8-12H2,(H,25,26)