methyl (4E)-4-[(4-tert-butylphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-[(4-tert-butylphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-[(4-tert-butylphenyl)methylene]-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[(4-tert-butylphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate Traditional Name: (4E)-4-(4-tert-butylbenzylidene)-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-14(2)13-23-15(3)19(21(25)26-7)18(20(23)24)12-16-8-10-17(11-9-16)22(4,5)6/h8-12,14H,13H2,1-7H3/b18-12+