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

Systemtic Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-[[4-(dimethylcarbamoyl)phenyl]methyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-[[4-(dimethylcarbamoyl)phenyl]methyl]pyrrole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[[4-[dimethylamino(oxo)methyl]phenyl]methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-[[4-(dimethylcarbamoyl)phenyl]methyl]pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-[4-(dimethylcarbamoyl)benzyl]pyrrole-3-carboxylic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-4-32-25(31)22-16-29(14-18-6-5-7-20(13-18)23(26)27)15-21(22)12-17-8-10-19(11-9-17)24(30)28(2)3/h5-11,13,15-16H,4,12,14H2,1-3H3,(H3,26,27)