methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenoxy]ethanoate hydrochloride

Systemtic Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenoxy]ethanoate hydrochloride Openeye Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetate hydrochloride CAS Name: 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetate hydrochloride Traditional Name: 2-[3-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenoxy]acetic acid methyl ester hydrochloride Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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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(=CC=C3)OCC(=O)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5.ClH/c1-27-17-11-24(15-8-6-13(7-9-15)20(22)23)21(26)19(17)14-4-3-5-16(10-14)29-12-18(25)28-2;/h3-10H,11-12H2,1-2H3,(H3,22,23);1H