methyl 1-[[2-(7-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-4-yl)-1H-indol-5-yl]methyl]piperidine-4-carboxylate hydrochloride

Systemtic Name: methyl 1-[[2-(7-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-4-yl)-1H-indol-5-yl]methyl]piperidine-4-carboxylate hydrochloride Openeye Name: methyl 1-[[2-(7-hydroxy-3-oxo-isoindolin-4-yl)-1H-indol-5-yl]methyl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[[2-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-1H-indol-5-yl]methyl]-4-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-[[2-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-1H-indol-5-yl]methyl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[[2-(7-hydroxy-3-keto-isoindolin-4-yl)-1H-indol-5-yl]methyl]isonipecotic acid methyl ester hydrochloride Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)O)CNC5=O.Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=C5C(=C(C=C4)O)CNC5=O.Cl

InChI

InChI=1S/C24H25N3O4.ClH/c1-31-24(30)15-6-8-27(9-7-15)13-14-2-4-19-16(10-14)11-20(26-19)17-3-5-21(28)18-12-25-23(29)22(17)18;/h2-5,10-11,15,26,28H,6-9,12-13H2,1H3,(H,25,29);1H