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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-piperidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-(1-piperidyl)-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-(1-piperidinyl)-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-piperidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-piperidino-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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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)N4CCCCC4.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCCCC4.Cl

InChI

InChI=1S/C26H30N4O3.ClH/c1-33-23(31)14-7-18-5-8-19(9-6-18)24-22(29-15-3-2-4-16-29)17-30(26(24)32)21-12-10-20(11-13-21)25(27)28;/h5-6,8-13H,2-4,7,14-17H2,1H3,(H3,27,28);1H