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

Systemtic Name: propan-2-yl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: isopropyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid isopropyl ester hydrochloride Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)OC.Cl

Isomeric SMILES

CC(C)OC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)OC.Cl

InChI

InChI=1S/C24H27N3O4.ClH/c1-15(2)31-21(28)13-6-16-4-7-17(8-5-16)22-20(30-3)14-27(24(22)29)19-11-9-18(10-12-19)23(25)26;/h4-5,7-12,15H,6,13-14H2,1-3H3,(H3,25,26);1H