diethyl 4-(1,3-benzodioxol-5-yl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-isopropyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-isopropyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-5-25-20(23)15-10-22(13(3)4)11-16(21(24)26-6-2)19(15)14-7-8-17-18(9-14)28-12-27-17/h7-11,13,19H,5-6,12H2,1-4H3