dimethyl 4-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(tetrahydrofuran-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-oxolanylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(tetrahydrofurfuryl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4CCCO4

InChI

InChI=1S/C21H23NO7/c1-25-20(23)15-10-22(9-14-4-3-7-27-14)11-16(21(24)26-2)19(15)13-5-6-17-18(8-13)29-12-28-17/h5-6,8,10-11,14,19H,3-4,7,9,12H2,1-2H3