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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC2=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=C1CC2=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)18-5-3-2-4-16(18)12-20-19-11-10-17(24(28)29)13-21(19)30-22(20)14-6-8-15(9-7-14)23(26)27;;/h2-11,13,30H,12H2,1H3,(H3,26,27)(H3,28,29);2*1H