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

Systemtic Name: methyl 4-[(4-tert-butylphenyl)methylidene]-1-ethyl-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl 4-[(4-tert-butylphenyl)methylene]-1-ethyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylidene]-1-ethyl-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-tert-butylphenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: 4-(4-tert-butylbenzylidene)-1-ethyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=CC2=CC=C(C=C2)C(C)(C)C)C1=O)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(=CC2=CC=C(C=C2)C(C)(C)C)C1=O)C(=O)OC)C

InChI

InChI=1S/C20H25NO3/c1-7-21-13(2)17(19(23)24-6)16(18(21)22)12-14-8-10-15(11-9-14)20(3,4)5/h8-12H,7H2,1-6H3