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

Systemtic Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-(4-amidinobenzyl)pyrrole-3-carboxylic acid methyl ester Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-29-22(28)19-13-27(11-15-3-2-4-17(10-15)21(25)26)12-18(19)9-14-5-7-16(8-6-14)20(23)24/h2-8,10,12-13H,9,11H2,1H3,(H3,23,24)(H3,25,26)