methyl 5-chloranyl-2-methoxy-4-piperidin-4-yloxy-benzoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 5-chloranyl-2-methoxy-4-piperidin-4-yloxy-benzoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 5-chloro-2-methoxy-4-(4-piperidyloxy)benzoate; 2,2,2-trifluoroacetic acid CAS Name: 5-chloro-2-methoxy-4-(4-piperidinyloxy)benzoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 5-chloro-2-methoxy-4-piperidin-4-yloxybenzoate; 2,2,2-trifluoroacetic acid Traditional Name: 5-chloro-2-methoxy-4-(4-piperidyloxy)benzoic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C16H19ClF3NO6 MolecularWeight: 413.77337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)Cl)OC2CCNCC2.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)Cl)OC2CCNCC2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H18ClNO4.C2HF3O2/c1-18-12-8-13(20-9-3-5-16-6-4-9)11(15)7-10(12)14(17)19-2;3-2(4,5)1(6)7/h7-9,16H,3-6H2,1-2H3;(H,6,7)