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

Systemtic Name: ethyl 1,4-bis[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 1,4-bis[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 1,4-bis[(3-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,4-bis[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1,4-bis(3-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=CC(=C3)C(=N)N

Isomeric SMILES

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

InChI

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