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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenylazanyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-anilino-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid hydrochloride Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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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)NC4=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)NC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H24N4O3.ClH/c27-25(28)19-11-13-21(14-12-19)30-16-22(29-20-4-2-1-3-5-20)24(26(30)33)18-9-6-17(7-10-18)8-15-23(31)32;/h1-7,9-14,29H,8,15-16H2,(H3,27,28)(H,31,32);1H