2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoic acid Formula: C18H15ClF3N3O3 MolecularWeight: 413.77821

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15ClF3N3O3/c19-14-9-11(18(20,21)22)10-23-15(14)24-5-7-25(8-6-24)16(26)12-3-1-2-4-13(12)17(27)28/h1-4,9-10H,5-8H2,(H,27,28)