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

Systemtic Name: propyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: propyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid propyl ester IUPAC Name: propyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-(4-amidinobenzyl)pyrrole-3-carboxylic acid propyl ester Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-2-10-31-24(30)21-15-29(13-17-4-3-5-19(12-17)23(27)28)14-20(21)11-16-6-8-18(9-7-16)22(25)26/h3-9,12,14-15H,2,10-11,13H2,1H3,(H3,25,26)(H3,27,28)