3-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonyl-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonyl-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonyl-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonylamino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonylamino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbethoxy-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C29H26F6N2O5 MolecularWeight: 596.517559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N(C2C)C(=O)O

Isomeric SMILES

CCOC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N(C2C)C(=O)O

InChI

InChI=1S/C29H26F6N2O5/c1-3-41-27(40)36(16-18-11-20(28(30,31)32)15-21(12-18)29(33,34)35)25-14-19-13-23(42-22-7-5-4-6-8-22)9-10-24(19)37(17(25)2)26(38)39/h4-13,15,17,25H,3,14,16H2,1-2H3,(H,38,39)