(1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C21H16N4O3/c1-12-19-15(8-17(13-5-6-13)23-20(19)28-24-12)21(26)27-11-14-10-25-7-3-2-4-18(25)16(14)9-22/h2-4,7-8,10,13H,5-6,11H2,1H3