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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-methoxy-2-methyl-6-propoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-methoxy-2-methyl-6-propoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-7-methoxy-2-methyl-6-propoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-7-methoxy-2-methyl-6-propoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-7-methoxy-2-methyl-6-propoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C26H28F6N2O6 MolecularWeight: 578.500739

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C26H28F6N2O6/c1-5-6-40-22-10-16-9-19(14(2)34(23(35)36)20(16)12-21(22)38-3)33(24(37)39-4)13-15-7-17(25(27,28)29)11-18(8-15)26(30,31)32/h7-8,10-12,14,19H,5-6,9,13H2,1-4H3,(H,35,36)