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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-bromanyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-bromo-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-bromo-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-bromo-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-bromo-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C22H19BrF6N2O4 MolecularWeight: 569.291679

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2=C(N1C(=O)O)C=CC(=C2)Br)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1C(CC2=C(N1C(=O)O)C=CC(=C2)Br)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C22H19BrF6N2O4/c1-11-18(8-13-7-16(23)3-4-17(13)31(11)19(32)33)30(20(34)35-2)10-12-5-14(21(24,25)26)9-15(6-12)22(27,28)29/h3-7,9,11,18H,8,10H2,1-2H3,(H,32,33)