2-cyclopropyl-4-[methoxycarbonyl(thiophen-2-ylmethyl)amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-[methoxycarbonyl(thiophen-2-ylmethyl)amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 2-cyclopropyl-4-[methoxycarbonyl(2-thienylmethyl)amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 2-cyclopropyl-4-[methoxycarbonyl(thiophen-2-ylmethyl)amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 2-cyclopropyl-4-[methoxycarbonyl(thiophen-2-ylmethyl)amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[carbomethoxy(2-thenyl)amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC=CS1)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)C4CC4

Isomeric SMILES

COC(=O)N(CC1=CC=CS1)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)C4CC4

InChI

InChI=1S/C21H21F3N2O4S/c1-30-20(29)25(11-14-3-2-8-31-14)18-10-17(12-4-5-12)26(19(27)28)16-7-6-13(9-15(16)18)21(22,23)24/h2-3,6-9,12,17-18H,4-5,10-11H2,1H3,(H,27,28)