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

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H24ClNO8 MolecularWeight: 501.91296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO8/c1-4-33-21-9-15(8-18(26)23(21)28)22-16(24(29)31-2)11-27(12-17(22)25(30)32-3)10-14-5-6-19-20(7-14)35-13-34-19/h5-9,11-12,22,28H,4,10,13H2,1-3H3