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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-benzyloxy-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-benzoxy-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C28H28ClN3O4 MolecularWeight: 505.99262

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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)OCC4=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)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C28H27N3O4.ClH/c1-34-25(32)16-9-19-7-10-21(11-8-19)26-24(35-18-20-5-3-2-4-6-20)17-31(28(26)33)23-14-12-22(13-15-23)27(29)30;/h2-8,10-15H,9,16-18H2,1H3,(H3,29,30);1H