diethyl 2-[[(5-methyl-2-phenyl-1H-pyrrol-3-yl)-(phenylmethyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(5-methyl-2-phenyl-1H-pyrrol-3-yl)-(phenylmethyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[benzyl-(5-methyl-2-phenyl-1H-pyrrol-3-yl)amino]methylene]propanedioate CAS Name: 2-[[(5-methyl-2-phenyl-1H-pyrrol-3-yl)-(phenylmethyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[benzyl-(5-methyl-2-phenyl-1H-pyrrol-3-yl)amino]methylidene]propanedioate Traditional Name: 2-[[benzyl-(5-methyl-2-phenyl-1H-pyrrol-3-yl)amino]methylene]malonic acid diethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(CC1=CC=CC=C1)C2=C(NC(=C2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(CC1=CC=CC=C1)C2=C(NC(=C2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H28N2O4/c1-4-31-25(29)22(26(30)32-5-2)18-28(17-20-12-8-6-9-13-20)23-16-19(3)27-24(23)21-14-10-7-11-15-21/h6-16,18,27H,4-5,17H2,1-3H3