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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoyl-2-methyl-phenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoyl-2-methyl-phenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoyl-2-methylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoyl-2-methylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidino-2-methyl-phenyl)-2-keto-4-methoxy-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:

CC1=C(C=CC(=C1)C(=N)N)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)OC)OC.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)OC)OC.Cl

InChI

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