2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propoxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propoxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propoxyphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propoxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-propoxy-phenyl)acetate hydrochloride Formula: C20H25ClN3O3- MolecularWeight: 390.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)CC.Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)CC.Cl

InChI

InChI=1S/C20H25N3O3.ClH/c1-3-11-26-17-10-7-15(12-13(17)4-2)18(20(24)25)23-16-8-5-14(6-9-16)19(21)22;/h5-10,12,18,23H,3-4,11H2,1-2H3,(H3,21,22)(H,24,25);1H/p-1