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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3.ClH/c1-27-19(25)11-4-14-2-5-15(6-3-14)18-12-13-24(21(18)26)17-9-7-16(8-10-17)20(22)23;/h2-3,5-10,12H,4,11,13H2,1H3,(H3,22,23);1H