3-bromanyl-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-bromanyl-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-bromo-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid CAS Name: 3-bromo-4-[(1-ethyl-2-pyrrolidinyl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-bromo-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-bromo-4-[(1-ethylpyrrolidin-2-yl)amino]-2-methyl-5-(trifluoromethyl)benzoic acid Formula: C15H18BrF3N2O2 MolecularWeight: 395.21483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1NC2=C(C=C(C(=C2Br)C)C(=O)O)C(F)(F)F

Isomeric SMILES

CCN1CCCC1NC2=C(C=C(C(=C2Br)C)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H18BrF3N2O2/c1-3-21-6-4-5-11(21)20-13-10(15(17,18)19)7-9(14(22)23)8(2)12(13)16/h7,11,20H,3-6H2,1-2H3,(H,22,23)