dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-m-phenetyl-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C25H25NO7/c1-4-31-18-7-5-6-17(11-18)23-19(24(27)29-2)13-26(14-20(23)25(28)30-3)12-16-8-9-21-22(10-16)33-15-32-21/h5-11,13-14,23H,4,12,15H2,1-3H3