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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C24H22F6N2O4 MolecularWeight: 516.432899

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=CC=CC=C3N(C2C4CC4)C(=O)O

Isomeric SMILES

COC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=CC=CC=C3N(C2C4CC4)C(=O)O

InChI

InChI=1S/C24H22F6N2O4/c1-36-22(35)31(12-13-8-16(23(25,26)27)11-17(9-13)24(28,29)30)19-10-15-4-2-3-5-18(15)32(21(33)34)20(19)14-6-7-14/h2-5,8-9,11,14,19-20H,6-7,10,12H2,1H3,(H,33,34)