[(4-carbamimidoylphenyl)amino] 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]ethanoate hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride CAS Name: 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride Traditional Name: 2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C20H22ClN5O3 MolecularWeight: 415.87338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)C3=NC=CN3.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)C3=NC=CN3.Cl

InChI

InChI=1S/C20H21N5O3.ClH/c1-2-27-17-10-13(9-15(12-17)20-23-7-8-24-20)11-18(26)28-25-16-5-3-14(4-6-16)19(21)22;/h3-10,12,25H,2,11H2,1H3,(H3,21,22)(H,23,24);1H