4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-fluoranyl-quinoline-2-carboxylic acid

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-fluoranyl-quinoline-2-carboxylic acid Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethoxy]-6-fluoro-quinoline-2-carboxylic acid CAS Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-6-fluoro-2-quinolinecarboxylic acid IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylic acid Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethoxy]-6-fluoro-quinaldic acid Formula: C22H22FNO4 MolecularWeight: 383.412783

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC(=NC5=C4C=C(C=C5)F)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC(=NC5=C4C=C(C=C5)F)C(=O)O

InChI

InChI=1S/C22H22FNO4/c23-15-1-2-17-16(6-15)19(7-18(24-17)21(26)27)28-11-20(25)22-8-12-3-13(9-22)5-14(4-12)10-22/h1-2,6-7,12-14H,3-5,8-11H2,(H,26,27)