diethyl 2-[ethanoyl-[(4-pyrrol-1-ylphenyl)methyl]amino]propanedioate

Systemtic Name: diethyl 2-[ethanoyl-[(4-pyrrol-1-ylphenyl)methyl]amino]propanedioate Openeye Name: diethyl 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]propanedioate CAS Name: 2-[acetyl-[[4-(1-pyrrolyl)phenyl]methyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]propanedioate Traditional Name: 2-[acetyl-(4-pyrrol-1-ylbenzyl)amino]malonic acid diethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N(CC1=CC=C(C=C1)N2C=CC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N(CC1=CC=C(C=C1)N2C=CC=C2)C(=O)C

InChI

InChI=1S/C20H24N2O5/c1-4-26-19(24)18(20(25)27-5-2)22(15(3)23)14-16-8-10-17(11-9-16)21-12-6-7-13-21/h6-13,18H,4-5,14H2,1-3H3