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

Systemtic Name: methyl 3-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]benzoate dihydrochloride Openeye Name: methyl 3-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]benzoate dihydrochloride CAS Name: 3-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]benzoate dihydrochloride Traditional Name: 3-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]benzoic acid methyl ester dihydrochloride Formula: C25H25Cl2N5O2 MolecularWeight: 498.4043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O2.2ClH/c1-32-25(31)18-4-2-3-14(11-18)12-20-19-10-9-17(24(28)29)13-21(19)30-22(20)15-5-7-16(8-6-15)23(26)27;;/h2-11,13,30H,12H2,1H3,(H3,26,27)(H3,28,29);2*1H