2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-pyridin-3-yl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-pyridin-3-yl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-dimethoxy-2-(3-pyridyl)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-dimethoxy-2-(3-pyridinyl)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-pyridin-3-ylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4,5-dimethoxy-2-(3-pyridyl)phenyl]acetate hydrochloride Formula: C22H22ClN4O4- MolecularWeight: 441.88748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CN=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CN=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC.Cl

InChI

InChI=1S/C22H22N4O4.ClH/c1-29-18-10-16(14-4-3-9-25-12-14)17(11-19(18)30-2)20(22(27)28)26-15-7-5-13(6-8-15)21(23)24;/h3-12,20,26H,1-2H3,(H3,23,24)(H,27,28);1H/p-1