3-[[8-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]carbonyl]benzoic acid

Systemtic Name: 3-[[8-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]carbonyl]benzoic acid Openeye Name: 3-[8-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]benzoic acid CAS Name: 3-[[8-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-oxomethyl]benzoic acid IUPAC Name: 3-[8-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]benzoic acid Traditional Name: 3-[8-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]benzoic acid Formula: C24H24F3N3O4 MolecularWeight: 475.46027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC1N2C(=O)CC(CC3=CC(=C(C=C3F)F)F)N)C(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CC2CN(CC1N2C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N)C(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C24H24F3N3O4/c25-19-10-21(27)20(26)8-15(19)7-16(28)9-22(31)30-17-4-5-18(30)12-29(11-17)23(32)13-2-1-3-14(6-13)24(33)34/h1-3,6,8,10,16-18H,4-5,7,9,11-12,28H2,(H,33,34)/t16-,17?,18?/m1/s1