methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-(p-tolylmethyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-5-keto-2-methyl-1-(4-methylbenzyl)-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC4=C(C=C3)OCO4)C2=O)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC4=C(C=C3)OCO4)/C2=O)C(=O)OC)C

InChI

InChI=1S/C23H21NO5/c1-14-4-6-16(7-5-14)12-24-15(2)21(23(26)27-3)18(22(24)25)10-17-8-9-19-20(11-17)29-13-28-19/h4-11H,12-13H2,1-3H3/b18-10-