4-(4-azanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid

Systemtic Name: 4-(4-azanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid Openeye Name: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid CAS Name: 4-[(4-amino-1-oxobutyl)amino]-2-[3-(trifluoromethyl)anilino]benzoic acid IUPAC Name: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid Traditional Name: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCN)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCN)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c19-18(20,21)11-3-1-4-12(9-11)23-15-10-13(6-7-14(15)17(26)27)24-16(25)5-2-8-22/h1,3-4,6-7,9-10,23H,2,5,8,22H2,(H,24,25)(H,26,27)