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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2N1C(=O)O)O)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2N1C(=O)O)O)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C23H22F6N2O6/c1-11-4-16(15-8-19(36-2)18(32)9-17(15)31(11)20(33)34)30(21(35)37-3)10-12-5-13(22(24,25)26)7-14(6-12)23(27,28)29/h5-9,11,16,32H,4,10H2,1-3H3,(H,33,34)