bis[(1-cyanoindolizin-2-yl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(1-cyanoindolizin-2-yl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(1-cyanoindolizin-2-yl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[(1-cyano-2-indolizinyl)methyl] ester IUPAC Name: bis[(1-cyanoindolizin-2-yl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[(1-cyanoindolizin-2-yl)methyl] ester Formula: C27H17N5O4 MolecularWeight: 475.45498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N)C#N

InChI

InChI=1S/C27H17N5O4/c28-12-20-18(14-31-10-3-1-8-24(20)31)16-35-26(33)22-6-5-7-23(30-22)27(34)36-17-19-15-32-11-4-2-9-25(32)21(19)13-29/h1-11,14-15H,16-17H2