diethyl 2-[[[4-methoxycarbonyl-5-methyl-1-(phenylmethyl)pyrrol-3-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-methoxycarbonyl-5-methyl-1-(phenylmethyl)pyrrol-3-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(1-benzyl-4-methoxycarbonyl-5-methyl-pyrrol-3-yl)amino]methylene]propanedioate CAS Name: 2-[[[4-methoxycarbonyl-5-methyl-1-(phenylmethyl)-3-pyrrolyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(1-benzyl-4-methoxycarbonyl-5-methylpyrrol-3-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(1-benzyl-4-carbomethoxy-5-methyl-pyrrol-3-yl)amino]methylene]malonic acid diethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CN(C(=C1C(=O)OC)C)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CN(C(=C1C(=O)OC)C)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O6/c1-5-29-20(25)17(21(26)30-6-2)12-23-18-14-24(13-16-10-8-7-9-11-16)15(3)19(18)22(27)28-4/h7-12,14,23H,5-6,13H2,1-4H3