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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-phenyl-3-pyrrolin-3-yl]phenyl]propionic acid hydrochloride Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H23N3O3.ClH/c27-25(28)20-11-13-21(14-12-20)29-16-22(18-4-2-1-3-5-18)24(26(29)32)19-9-6-17(7-10-19)8-15-23(30)31;/h1-7,9-14H,8,15-16H2,(H3,27,28)(H,30,31);1H