2-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[[(1S)-2-tert-butoxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 2-[[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-oxomethyl]-6-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[[(1S)-2-tert-butoxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]cinchoninic acid Formula: C31H27F3N2O6 MolecularWeight: 580.55109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F)C(=C2)C(=O)O

InChI

InChI=1S/C31H27F3N2O6/c1-30(2,3)42-29(41)26(13-17-7-10-21(37)11-8-17)36-27(38)25-16-23(28(39)40)22-15-19(9-12-24(22)35-25)18-5-4-6-20(14-18)31(32,33)34/h4-12,14-16,26,37H,13H2,1-3H3,(H,36,38)(H,39,40)/t26-/m0/s1