2-[[(2R)-1-(4-hydroxyphenyl)-3-methoxy-propan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[[(2R)-1-(4-hydroxyphenyl)-3-methoxy-propan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 2-[[[(2R)-1-(4-hydroxyphenyl)-3-methoxypropan-2-yl]amino]-oxomethyl]-6-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2R)-1-(4-hydroxyphenyl)-3-methoxypropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[[(1R)-1-(4-hydroxybenzyl)-2-methoxy-ethyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]cinchoninic acid Formula: C28H23F3N2O5 MolecularWeight: 524.48783

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Descriptors Computed from Structure

Canonical SMILES:

COCC(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

COC[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/C28H23F3N2O5/c1-38-15-20(11-16-5-8-21(34)9-6-16)32-26(35)25-14-23(27(36)37)22-13-18(7-10-24(22)33-25)17-3-2-4-19(12-17)28(29,30)31/h2-10,12-14,20,34H,11,15H2,1H3,(H,32,35)(H,36,37)/t20-/m1/s1