4-[[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzoic acid Formula: C17H15BrF3N3O3 MolecularWeight: 446.21851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CC(=O)NCC3=CC=C(C=C3)C(=O)O)C(F)(F)F)Br

Isomeric SMILES

C1CC1C2=C(C(=NN2CC(=O)NCC3=CC=C(C=C3)C(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C17H15BrF3N3O3/c18-13-14(10-5-6-10)24(23-15(13)17(19,20)21)8-12(25)22-7-9-1-3-11(4-2-9)16(26)27/h1-4,10H,5-8H2,(H,22,25)(H,26,27)