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

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethoxy-5-(2-methyl-3-oxidanyl-imidazol-4-yl)phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetate hydrochloride CAS Name: 2-[3-ethoxy-5-(3-hydroxy-2-methyl-4-imidazolyl)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethoxy-5-(3-hydroxy-2-methylimidazol-4-yl)phenyl]acetate hydrochloride Traditional Name: 2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)C3=CN=C(N3O)C.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)C3=CN=C(N3O)C.Cl

InChI

InChI=1S/C21H23N5O4.ClH/c1-3-29-18-9-14(8-16(11-18)19-12-24-13(2)26(19)28)10-20(27)30-25-17-6-4-15(5-7-17)21(22)23;/h4-9,11-12,25,28H,3,10H2,1-2H3,(H3,22,23);1H