tert-butyl 3-(3-methylimidazol-4-yl)-5-oxidanylidene-4-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(3-methylimidazol-4-yl)-5-oxidanylidene-4-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 4-benzyl-3-(3-methylimidazol-4-yl)-5-oxo-2H-pyrrole-1-carboxylate CAS Name: 3-(3-methyl-4-imidazolyl)-5-oxo-4-(phenylmethyl)-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-3-(3-methylimidazol-4-yl)-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 3-benzyl-2-keto-4-(3-methylimidazol-4-yl)-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=C(C1=O)CC2=CC=CC=C2)C3=CN=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=C(C1=O)CC2=CC=CC=C2)C3=CN=CN3C

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-12-16(17-11-21-13-22(17)4)15(18(23)24)10-14-8-6-5-7-9-14/h5-9,11,13H,10,12H2,1-4H3