methyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-5-[(3-benzyloxyphenyl)methylene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-2-methyl-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-(3-benzoxybenzylidene)-4-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)N1)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=C\C2=CC(=CC=C2)OCC3=CC=CC=C3)/N1)C(=O)OC

InChI

InChI=1S/C21H19NO4/c1-14-19(21(24)25-2)20(23)18(22-14)12-16-9-6-10-17(11-16)26-13-15-7-4-3-5-8-15/h3-12,22H,13H2,1-2H3/b18-12+