methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethylidene)pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethylidene)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-benzylidene-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(phenylmethylene)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-benzylidene-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-benzal-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2)C(=O)N1CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=CC=C2)/C(=O)N1CC(C)C)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-12(2)11-19-13(3)16(18(21)22-4)15(17(19)20)10-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3/b15-10-