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

Systemtic Name: 2-phenylmethoxyethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: 2-benzyloxyethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetic acid 2-phenylmethoxyethyl ester dihydrochloride IUPAC Name: 2-phenylmethoxyethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetic acid 2-benzoxyethyl ester dihydrochloride Formula: C27H29Cl2N5O3 MolecularWeight: 542.45686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3.2ClH/c28-26(29)19-8-6-18(7-9-19)25-22(21-11-10-20(27(30)31)14-23(21)32-25)15-24(33)35-13-12-34-16-17-4-2-1-3-5-17;;/h1-11,14,32H,12-13,15-16H2,(H3,28,29)(H3,30,31);2*1H