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

Systemtic Name: methyl 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chloranyl-benzoate Openeye Name: methyl 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chloro-benzoate CAS Name: 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chlorobenzoate Traditional Name: 2-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]-5-chloro-benzoic acid methyl ester Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN5O2/c1-33-25(32)19-12-17(26)8-6-15(19)10-20-18-9-7-16(24(29)30)11-21(18)31-22(20)13-2-4-14(5-3-13)23(27)28/h2-9,11-12,31H,10H2,1H3,(H3,27,28)(H3,29,30)