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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-piperidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-(1-piperidyl)-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-(1-piperidinyl)-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-piperidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-piperidino-3-pyrrolin-3-yl]phenyl]propionic acid hydrochloride Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O.Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O.Cl

InChI

InChI=1S/C25H28N4O3.ClH/c26-24(27)19-9-11-20(12-10-19)29-16-21(28-14-2-1-3-15-28)23(25(29)32)18-7-4-17(5-8-18)6-13-22(30)31;/h4-5,7-12H,1-3,6,13-16H2,(H3,26,27)(H,30,31);1H