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

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]ethylphosphonic acid hydrochloride Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]ethylphosphonic acid hydrochloride CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]ethylphosphonic acid hydrochloride IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]ethylphosphonic acid hydrochloride Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]ethylphosphonic acid hydrochloride Formula: C20H23ClN3O5P MolecularWeight: 451.840481

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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)CCP(=O)(O)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22N3O5P.ClH/c1-28-17-12-23(16-8-6-15(7-9-16)19(21)22)20(24)18(17)14-4-2-13(3-5-14)10-11-29(25,26)27;/h2-9H,10-12H2,1H3,(H3,21,22)(H2,25,26,27);1H