2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-pyridin-3-yloxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-pyridin-3-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridinyloxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-5-pyridin-3-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetate hydrochloride Formula: C22H22ClN4O3- MolecularWeight: 425.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2=CN=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2=CN=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H22N4O3.ClH/c1-2-14-10-16(12-19(11-14)29-18-4-3-9-25-13-18)20(22(27)28)26-17-7-5-15(6-8-17)21(23)24;/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28);1H/p-1