ethyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(3-benzyloxyphenyl)methylene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-3H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate Traditional Name: (5E)-5-(3-benzoxybenzylidene)-4-keto-2-methyl-1-pyrroline-3-carboxylic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)C

Isomeric SMILES

CCOC(=O)C1C(=N/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C1=O)C

InChI

InChI=1S/C22H21NO4/c1-3-26-22(25)20-15(2)23-19(21(20)24)13-17-10-7-11-18(12-17)27-14-16-8-5-4-6-9-16/h4-13,20H,3,14H2,1-2H3/b19-13+