methyl 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylate CAS Name: 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N5O3/c1-30-23(29)19-9-7-15(31-19)11-17-16-8-6-14(22(26)27)10-18(16)28-20(17)12-2-4-13(5-3-12)21(24)25/h2-10,28H,11H2,1H3,(H3,24,25)(H3,26,27)