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

Systemtic Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamimidoylphenyl)methyl]-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 4-(3-amidinobenzyl)-1-(4-amidinobenzyl)pyrrole-3-carboxylic acid ethyl ester Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-2-30-23(29)20-14-28(12-15-6-8-17(9-7-15)21(24)25)13-19(20)11-16-4-3-5-18(10-16)22(26)27/h3-10,13-14H,2,11-12H2,1H3,(H3,24,25)(H3,26,27)