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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-5-methyl-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC)OC.Cl

Isomeric SMILES

CC1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC)OC.Cl

InChI

InChI=1S/C23H25N3O4.ClH/c1-14-21(30-3)20(16-7-4-15(5-8-16)6-13-19(27)29-2)23(28)26(14)18-11-9-17(10-12-18)22(24)25;/h4-5,7-12,14H,6,13H2,1-3H3,(H3,24,25);1H