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

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-phenyl-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO6/c1-27-22(25)17-12-24(11-15-8-9-19-20(10-15)30-14-29-19)13-18(23(26)28-2)21(17)16-6-4-3-5-7-16/h3-10,12-13,21H,11,14H2,1-2H3