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

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(oxan-4-yloxy)phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetate hydrochloride CAS Name: 2-[3-ethyl-5-(4-oxanyloxy)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(oxan-4-yloxy)phenyl]acetate hydrochloride Traditional Name: 2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid (4-amidinoanilino) ester hydrochloride Formula: C22H28ClN3O4 MolecularWeight: 433.92842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCOCC3.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCOCC3.Cl

InChI

InChI=1S/C22H27N3O4.ClH/c1-2-15-11-16(13-20(12-15)28-19-7-9-27-10-8-19)14-21(26)29-25-18-5-3-17(4-6-18)22(23)24;/h3-6,11-13,19,25H,2,7-10,14H2,1H3,(H3,23,24);1H