methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-hydroxy-4-keto-2-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(N(CC2=O)C3=CC=C(C=C3)C(=N)N)O.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(N(CC2=O)C3=CC=C(C=C3)C(=N)N)O.Cl

InChI

InChI=1S/C21H21N3O4.ClH/c1-28-18(26)11-4-13-2-5-14(6-3-13)19-17(25)12-24(21(19)27)16-9-7-15(8-10-16)20(22)23;/h2-3,5-10,27H,4,11-12H2,1H3,(H3,22,23);1H