ethyl 4-[(4-methoxycarbonylphenyl)methylidene]-2-methyl-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(4-methoxycarbonylphenyl)methylidene]-2-methyl-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-[(4-methoxycarbonylphenyl)methylene]-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrole-3-carboxylate CAS Name: 4-[(4-methoxycarbonylphenyl)methylidene]-2-methyl-5-oxo-1-(2-oxolanylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxycarbonylphenyl)methylidene]-2-methyl-5-oxo-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(4-carbomethoxybenzylidene)-5-keto-2-methyl-1-(tetrahydrofurfuryl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)OC)CC3CCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)OC)CC3CCCO3)C

InChI

InChI=1S/C22H25NO6/c1-4-28-22(26)19-14(2)23(13-17-6-5-11-29-17)20(24)18(19)12-15-7-9-16(10-8-15)21(25)27-3/h7-10,12,17H,4-6,11,13H2,1-3H3