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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C25H26F6N2O6 MolecularWeight: 564.474159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(C(N2C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(C(N2C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C25H26F6N2O6/c1-5-39-21-9-15-8-18(13(2)33(22(34)35)19(15)11-20(21)37-3)32(23(36)38-4)12-14-6-16(24(26,27)28)10-17(7-14)25(29,30)31/h6-7,9-11,13,18H,5,8,12H2,1-4H3,(H,34,35)