methyl 2-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: methyl 1-isopropyl-2-methyl-5-oxo-4-(p-tolylmethylene)pyrrole-3-carboxylate CAS Name: 2-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-propan-2-yl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-5-keto-2-methyl-4-(4-methylbenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=C(N(C2=O)C(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C=C2C(=C(N(C2=O)C(C)C)C)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-11(2)19-13(4)16(18(21)22-5)15(17(19)20)10-14-8-6-12(3)7-9-14/h6-11H,1-5H3