8-azanyl-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 8-azanyl-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 8-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 8-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 8-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 8-amino-4-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C22H21F6N3O4 MolecularWeight: 505.410259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(N1C(=O)O)C(=CC=C2)N)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1CC(C2=C(N1C(=O)O)C(=CC=C2)N)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C22H21F6N3O4/c1-11-6-17(15-4-3-5-16(29)18(15)31(11)19(32)33)30(20(34)35-2)10-12-7-13(21(23,24)25)9-14(8-12)22(26,27)28/h3-5,7-9,11,17H,6,10,29H2,1-2H3,(H,32,33)