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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-5-phenyl-3-pyrrolin-3-yl]phenyl]propionic acid hydrochloride Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O.Cl

InChI

InChI=1S/C27H25N3O4.ClH/c1-34-25-23(18-10-7-17(8-11-18)9-16-22(31)32)27(33)30(24(25)19-5-3-2-4-6-19)21-14-12-20(13-15-21)26(28)29;/h2-8,10-15,24H,9,16H2,1H3,(H3,28,29)(H,31,32);1H