O4-[(1-cyanoindolizin-2-yl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O4-[(1-cyanoindolizin-2-yl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[(1-cyanoindolizin-2-yl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[(1-cyano-2-indolizinyl)methyl] ester O3,O5-dimethyl ester IUPAC Name: 4-O-[(1-cyanoindolizin-2-yl)methyl] 3-O,5-O-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[(1-cyanoindolizin-2-yl)methyl] ester O3,O5-dimethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=CN3C=CC=CC3=C2C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=CN3C=CC=CC3=C2C#N)C(=O)OC

InChI

InChI=1S/C22H21N3O6/c1-12-17(20(26)29-3)19(18(13(2)24-12)21(27)30-4)22(28)31-11-14-10-25-8-6-5-7-16(25)15(14)9-23/h5-8,10,19,24H,11H2,1-4H3