2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(trifluoromethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(trifluoromethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(1-naphthyl)propanoylamino]-4-(trifluoromethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-(trifluoromethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(trifluoromethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(1-naphthyl)propanoylamino]-4-(trifluoromethyl)benzyl]benzoic acid Formula: C28H22F3NO3 MolecularWeight: 477.47439

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H22F3NO3/c1-17(22-12-6-9-18-7-2-4-10-23(18)22)26(33)32-25-16-21(28(29,30)31)14-13-20(25)15-19-8-3-5-11-24(19)27(34)35/h2-14,16-17H,15H2,1H3,(H,32,33)(H,34,35)