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

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-(3-ethyl-5-pyridin-3-yloxy-phenyl)ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-5-(3-pyridinyloxy)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-(3-ethyl-5-pyridin-3-yloxyphenyl)acetate hydrochloride Traditional Name: 2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3=CN=CC=C3.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3=CN=CC=C3.Cl

InChI

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