2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenoxy]ethanoic acid hydrochloride

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenoxy]ethanoic acid hydrochloride Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetic acid hydrochloride CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetic acid hydrochloride IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetic acid hydrochloride Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenoxy]acetic acid hydrochloride Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)OCC(=O)O.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)OCC(=O)O.Cl

InChI

InChI=1S/C20H19N3O5.ClH/c1-27-16-10-23(14-6-2-13(3-7-14)19(21)22)20(26)18(16)12-4-8-15(9-5-12)28-11-17(24)25;/h2-9H,10-11H2,1H3,(H3,21,22)(H,24,25);1H