3-bromanyl-4-(2-piperazin-1-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 3-bromanyl-4-(2-piperazin-1-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 3-bromo-4-(2-piperazin-1-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 3-bromo-4-[2-(1-piperazinyl)ethoxy]-5-[3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 3-bromo-4-(2-piperazin-1-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 3-bromo-4-(2-piperazinoethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Formula: C20H20BrF3N2O3 MolecularWeight: 473.28361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC2=C(C=C(C=C2C3=CC(=CC=C3)C(F)(F)F)C(=O)O)Br

Isomeric SMILES

C1CN(CCN1)CCOC2=C(C=C(C=C2C3=CC(=CC=C3)C(F)(F)F)C(=O)O)Br

InChI

InChI=1S/C20H20BrF3N2O3/c21-17-12-14(19(27)28)11-16(13-2-1-3-15(10-13)20(22,23)24)18(17)29-9-8-26-6-4-25-5-7-26/h1-3,10-12,25H,4-9H2,(H,27,28)