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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(dipyridin-3-ylmethylamino)-5-ethyl-phenyl]ethanoate hydrochloride Openeye Name: 2-[3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-[3-[bis(3-pyridinyl)methylamino]-5-ethylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(dipyridin-3-ylmethylamino)-5-ethylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-[bis(3-pyridyl)methylamino]-5-ethyl-phenyl]acetate hydrochloride Formula: C28H28ClN6O2- MolecularWeight: 516.01392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NC(C2=CN=CC=C2)C3=CN=CC=C3)C(C(=O)[O-])NC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)NC(C2=CN=CC=C2)C3=CN=CC=C3)C(C(=O)[O-])NC4=CC=C(C=C4)C(=N)N.Cl

InChI

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