O5-methyl O3-(oxolan-2-ylmethyl) 4-(3-cyanophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-(oxolan-2-ylmethyl) 4-(3-cyanophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(tetrahydrofuran-2-ylmethyl) 4-(3-cyanophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(3-cyanophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid O5-methyl ester O3-(2-oxolanylmethyl) ester IUPAC Name: 5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(3-cyanophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-cyanophenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-(tetrahydrofurfuryl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC(=C2)C#N)C(=O)OCC3CCCO3

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC(=C2)C#N)C(=O)OCC3CCCO3

InChI

InChI=1S/C22H22N2O5/c1-13-18(21(25)27-3)20(16-7-4-6-15(10-16)11-23)19(14(2)24-13)22(26)29-12-17-8-5-9-28-17/h4,6-7,10,17H,5,8-9,12H2,1-3H3