methyl 2-[[(2S)-2-(4-fluoranylphenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-(4-fluoranylphenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2S)-2-(4-fluorophenoxy)-1-oxopropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(C)OC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](C)OC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C22H20FNO5/c1-13-17-6-4-5-7-18(17)24-19(20(13)22(26)27-3)12-28-21(25)14(2)29-16-10-8-15(23)9-11-16/h4-11,14H,12H2,1-3H3/t14-/m0/s1