ethyl 4-[(4-ethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(4-ethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(4-ethoxyphenyl)methylene]-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 4-[(4-ethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate Traditional Name: 4-(4-ethoxybenzylidene)-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=C(N(C2=O)CC(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C=C2C(=C(N(C2=O)CC(C)C)C)C(=O)OCC

InChI

InChI=1S/C21H27NO4/c1-6-25-17-10-8-16(9-11-17)12-18-19(21(24)26-7-2)15(5)22(20(18)23)13-14(3)4/h8-12,14H,6-7,13H2,1-5H3