1,3-benzodioxol-5-ylmethyl 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid piperonyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20ClNO5/c1-13-8-17(14(2)24(13)18-10-16(23)5-7-19(18)26-3)22(25)27-11-15-4-6-20-21(9-15)29-12-28-20/h4-10H,11-12H2,1-3H3