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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-methoxy-2-methyl-7-pentoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-methoxy-2-methyl-7-pentoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-methoxy-2-methyl-7-pentoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-methoxy-2-methyl-7-pentoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 7-amoxy-3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C28H32F6N2O6 MolecularWeight: 606.553899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2CC(C(N(C2=C1)C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

CCCCCOC1=C(C=C2CC(C(N(C2=C1)C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C28H32F6N2O6/c1-5-6-7-8-42-24-14-22-18(12-23(24)40-3)11-21(16(2)36(22)25(37)38)35(26(39)41-4)15-17-9-19(27(29,30)31)13-20(10-17)28(32,33)34/h9-10,12-14,16,21H,5-8,11,15H2,1-4H3,(H,37,38)