(1-cyanoindolizin-2-yl)methyl quinoline-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl quinoline-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H13N3O2 MolecularWeight: 327.33612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H13N3O2/c21-11-16-15(12-23-10-4-3-7-19(16)23)13-25-20(24)18-9-8-14-5-1-2-6-17(14)22-18/h1-10,12H,13H2