ethyl 4-[(4-acetamidophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(4-acetamidophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 4-[(4-acetamidophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 4-[(4-acetamidophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetamidophenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 4-(4-acetamidobenzyl)-1-(3-amidinobenzyl)pyrrole-3-carboxylic acid ethyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CN(C=C1CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H26N4O3/c1-3-31-24(30)22-15-28(13-18-5-4-6-19(12-18)23(25)26)14-20(22)11-17-7-9-21(10-8-17)27-16(2)29/h4-10,12,14-15H,3,11,13H2,1-2H3,(H3,25,26)(H,27,29)