2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-propyl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-propyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propyl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propylphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-propyl-phenyl)acetate hydrochloride Formula: C20H25ClN3O3- MolecularWeight: 390.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)OCC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CCCC1=CC(=CC(=C1)OCC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C20H25N3O3.ClH/c1-3-5-13-10-15(12-17(11-13)26-4-2)18(20(24)25)23-16-8-6-14(7-9-16)19(21)22;/h6-12,18,23H,3-5H2,1-2H3,(H3,21,22)(H,24,25);1H/p-1