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

Systemtic Name: butyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: butyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid butyl ester IUPAC Name: butyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-(4-amidinobenzyl)pyrrole-3-carboxylic acid butyl ester Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c1-2-3-11-32-25(31)22-16-30(14-18-5-4-6-20(13-18)24(28)29)15-21(22)12-17-7-9-19(10-8-17)23(26)27/h4-10,13,15-16H,2-3,11-12,14H2,1H3,(H3,26,27)(H3,28,29)