diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-(p-tolyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(p-tolyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25NO6/c1-4-29-24(27)19-13-26(18-9-6-16(3)7-10-18)14-20(25(28)30-5-2)23(19)17-8-11-21-22(12-17)32-15-31-21/h6-14,23H,4-5,15H2,1-3H3