2-[1-(4-methoxyphenyl)cyclopropyl]-3-oxidanyl-8-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)cyclopropyl]-3-oxidanyl-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-[1-(4-methoxyphenyl)cyclopropyl]-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-[1-(4-methoxyphenyl)cyclopropyl]-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2-[1-(4-methoxyphenyl)cyclopropyl]-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-[1-(4-methoxyphenyl)cyclopropyl]-8-(trifluoromethyl)cinchoninic acid Formula: C21H16F3NO4 MolecularWeight: 403.35125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)C3=C(C(=C4C=CC=C(C4=N3)C(F)(F)F)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)C3=C(C(=C4C=CC=C(C4=N3)C(F)(F)F)C(=O)O)O

InChI

InChI=1S/C21H16F3NO4/c1-29-12-7-5-11(6-8-12)20(9-10-20)18-17(26)15(19(27)28)13-3-2-4-14(16(13)25-18)21(22,23)24/h2-8,26H,9-10H2,1H3,(H,27,28)