[3-(dipyridin-3-ylmethylamino)-5-ethyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: [3-(dipyridin-3-ylmethylamino)-5-ethyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: [3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)acetic acid [3-[bis(3-pyridinyl)methylamino]-5-ethylphenyl] ester hydrochloride IUPAC Name: [3-(dipyridin-3-ylmethylamino)-5-ethylphenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)acetic acid [3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl] ester hydrochloride Formula: C28H29ClN6O2 MolecularWeight: 517.02186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)NC(C3=CN=CC=C3)C4=CN=CC=C4.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)NC(C3=CN=CC=C3)C4=CN=CC=C4.Cl

InChI

InChI=1S/C28H28N6O2.ClH/c1-2-19-13-24(34-27(21-5-3-11-31-16-21)22-6-4-12-32-17-22)15-25(14-19)36-26(35)18-33-23-9-7-20(8-10-23)28(29)30;/h3-17,27,33-34H,2,18H2,1H3,(H3,29,30);1H