methyl 2-[[4-(4-fluorophenyl)carbonylphenoxy]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)carbonylphenoxy]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(4-fluorobenzoyl)phenoxy]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)-oxomethyl]phenoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorobenzoyl)phenoxy]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(4-fluorobenzoyl)phenoxy]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C26H20FNO4 MolecularWeight: 429.439703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C26H20FNO4/c1-16-21-5-3-4-6-22(21)28-23(24(16)26(30)31-2)15-32-20-13-9-18(10-14-20)25(29)17-7-11-19(27)12-8-17/h3-14H,15H2,1-2H3