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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonyl-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonyl-amino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonylamino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonylamino]-2-methyl-6-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[[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)C2CC(N(C3=C2C=C(C=C3)OC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCOC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC(N(C3=C2C=C(C=C3)OC4=CC=CC=C4)C(=O)O)C

InChI

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