[3-(quinolin-2-ylcarbonyloxymethyl)phenyl]methyl quinoline-2-carboxylate

Systemtic Name: [3-(quinolin-2-ylcarbonyloxymethyl)phenyl]methyl quinoline-2-carboxylate Openeye Name: [3-(quinoline-2-carbonyloxymethyl)phenyl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [3-[[oxo(2-quinolinyl)methoxy]methyl]phenyl]methyl ester IUPAC Name: [3-(quinoline-2-carbonyloxymethyl)phenyl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [3-(quinaldoyloxymethyl)benzyl] ester Formula: C28H20N2O4 MolecularWeight: 448.4694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CC(=CC=C3)COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CC(=CC=C3)COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H20N2O4/c31-27(25-14-12-21-8-1-3-10-23(21)29-25)33-17-19-6-5-7-20(16-19)18-34-28(32)26-15-13-22-9-2-4-11-24(22)30-26/h1-16H,17-18H2