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

Systemtic Name: 3-bromanyl-4-(2-morpholin-4-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 3-bromo-4-(2-morpholinoethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 3-bromo-4-[2-(4-morpholinyl)ethoxy]-5-[3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 3-bromo-4-(2-morpholin-4-ylethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 3-bromo-4-(2-morpholinoethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Formula: C20H19BrF3NO4 MolecularWeight: 474.26837

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=C(C=C(C=C2C3=CC(=CC=C3)C(F)(F)F)C(=O)O)Br

Isomeric SMILES

C1COCCN1CCOC2=C(C=C(C=C2C3=CC(=CC=C3)C(F)(F)F)C(=O)O)Br

InChI

InChI=1S/C20H19BrF3NO4/c21-17-12-14(19(26)27)11-16(13-2-1-3-15(10-13)20(22,23)24)18(17)29-9-6-25-4-7-28-8-5-25/h1-3,10-12H,4-9H2,(H,26,27)