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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetate hydrochloride Formula: C20H21ClN5O3- MolecularWeight: 414.86544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C3=NC=CN3.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C3=NC=CN3.Cl

InChI

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