propan-2-yl 2-[5-carbamimidoyl-2-(6-carbamimidoyl-1H-indol-2-yl)phenoxy]propanoate dihydrochloride

Systemtic Name: propan-2-yl 2-[5-carbamimidoyl-2-(6-carbamimidoyl-1H-indol-2-yl)phenoxy]propanoate dihydrochloride Openeye Name: isopropyl 2-[5-carbamimidoyl-2-(6-carbamimidoyl-1H-indol-2-yl)phenoxy]propanoate dihydrochloride CAS Name: 2-[5-carbamimidoyl-2-(6-carbamimidoyl-1H-indol-2-yl)phenoxy]propanoic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 2-[5-carbamimidoyl-2-(6-carbamimidoyl-1H-indol-2-yl)phenoxy]propanoate dihydrochloride Traditional Name: 2-[5-amidino-2-(6-amidino-1H-indol-2-yl)phenoxy]propionic acid isopropyl ester dihydrochloride Formula: C22H27Cl2N5O3 MolecularWeight: 480.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)OC1=C(C=CC(=C1)C(=N)N)C2=CC3=C(N2)C=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)C(C)OC1=C(C=CC(=C1)C(=N)N)C2=CC3=C(N2)C=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C22H25N5O3.2ClH/c1-11(2)29-22(28)12(3)30-19-10-15(21(25)26)6-7-16(19)18-8-13-4-5-14(20(23)24)9-17(13)27-18;;/h4-12,27H,1-3H3,(H3,23,24)(H3,25,26);2*1H