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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-phenyl-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H25N3O3.ClH/c1-33-24(31)16-9-18-7-10-20(11-8-18)25-23(19-5-3-2-4-6-19)17-30(27(25)32)22-14-12-21(13-15-22)26(28)29;/h2-8,10-15H,9,16-17H2,1H3,(H3,28,29);1H