[3-[[2-(cyanomethoxy)-3-methyl-phenyl]methoxy]phenyl] quinoline-2-carboxylate

Systemtic Name: [3-[[2-(cyanomethoxy)-3-methyl-phenyl]methoxy]phenyl] quinoline-2-carboxylate Openeye Name: [3-[[2-(cyanomethoxy)-3-methyl-phenyl]methoxy]phenyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [3-[[2-(cyanomethoxy)-3-methylphenyl]methoxy]phenyl] ester IUPAC Name: [3-[[2-(cyanomethoxy)-3-methylphenyl]methoxy]phenyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [3-[2-(cyanomethoxy)-3-methyl-benzyl]oxyphenyl] ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)OCC#N

InChI

InChI=1S/C26H20N2O4/c1-18-6-4-8-20(25(18)30-15-14-27)17-31-21-9-5-10-22(16-21)32-26(29)24-13-12-19-7-2-3-11-23(19)28-24/h2-13,16H,15,17H2,1H3