[1-azanyl-1-[6-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid

Systemtic Name: [1-azanyl-1-[6-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid Openeye Name: [1-amino-1-[6-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid CAS Name: [1-amino-1-[6-[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid IUPAC Name: [1-amino-1-[6-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid Traditional Name: [1-amino-1-[6-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]carbamic acid Formula: C26H24F3N3O3 MolecularWeight: 483.48227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N)(NC(=O)O)N1CCC2=C(C1)C=CC(=C2)C(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(N)(NC(=O)O)N1CCC2=C(C1)C=CC(=C2)C(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H24F3N3O3/c1-25(30,31-24(34)35)32-13-12-17-14-18(6-7-19(17)15-32)23(33)22-5-3-2-4-21(22)16-8-10-20(11-9-16)26(27,28)29/h2-11,14,31H,12-13,15,30H2,1H3,(H,34,35)