3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C23H22F6N2O6 MolecularWeight: 536.420999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2=CC(=C(C=C2N1C(=O)O)OC)O)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1C(CC2=CC(=C(C=C2N1C(=O)O)OC)O)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C23H22F6N2O6/c1-11-16(6-13-7-18(32)19(36-2)9-17(13)31(11)20(33)34)30(21(35)37-3)10-12-4-14(22(24,25)26)8-15(5-12)23(27,28)29/h4-5,7-9,11,16,32H,6,10H2,1-3H3,(H,33,34)