2-[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyl-1,2,3,4-tetrazol-5-yl)ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyl-1,2,3,4-tetrazol-5-yl)ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyltetrazol-5-yl)ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 2-[[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyl-5-tetrazolyl)ethyl]amino]-oxomethyl]-6-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyltetrazol-5-yl)ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[[(1R)-2-(4-hydroxyphenyl)-1-(2-methyltetrazol-5-yl)ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]cinchoninic acid Formula: C28H21F3N6O4 MolecularWeight: 562.49935

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C(CC2=CC=C(C=C2)O)NC(=O)C3=NC4=C(C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F)C(=C3)C(=O)O

Isomeric SMILES

CN1N=C(N=N1)[C@@H](CC2=CC=C(C=C2)O)NC(=O)C3=NC4=C(C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F)C(=C3)C(=O)O

InChI

InChI=1S/C28H21F3N6O4/c1-37-35-25(34-36-37)23(11-15-5-8-19(38)9-6-15)33-26(39)24-14-21(27(40)41)20-13-17(7-10-22(20)32-24)16-3-2-4-18(12-16)28(29,30)31/h2-10,12-14,23,38H,11H2,1H3,(H,33,39)(H,40,41)/t23-/m1/s1