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

Systemtic Name: 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]butanoic acid hydrochloride Openeye Name: 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoic acid hydrochloride CAS Name: 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoic acid hydrochloride IUPAC Name: 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoic acid hydrochloride Traditional Name: 4-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]butyric acid hydrochloride Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCCC(=O)O.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCCC(=O)O.Cl

InChI

InChI=1S/C22H23N3O4.ClH/c1-29-18-13-25(17-11-9-16(10-12-17)21(23)24)22(28)20(18)15-7-5-14(6-8-15)3-2-4-19(26)27;/h5-12H,2-4,13H2,1H3,(H3,23,24)(H,26,27);1H