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

Systemtic Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]benzoate dihydrochloride Openeye Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]benzoate dihydrochloride CAS Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]benzoate dihydrochloride Traditional Name: 3-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]benzoic acid methyl ester dihydrochloride Formula: C26H28Cl2N6O2 MolecularWeight: 527.44552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCCC2=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)NCCC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C26H26N6O2.2ClH/c1-34-26(33)18-3-2-4-19(13-18)31-12-11-21-20-10-9-17(25(29)30)14-22(20)32-23(21)15-5-7-16(8-6-15)24(27)28;;/h2-10,13-14,31-32H,11-12H2,1H3,(H3,27,28)(H3,29,30);2*1H