3-[4-[1-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(1-oxoisoindolin-5-yl)-2-piperidyl]phenyl]propanoic acid CAS Name: 3-[4-[1-(1-oxo-2,3-dihydroisoindol-5-yl)-2-piperidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(1-oxo-2,3-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(1-ketoisoindolin-5-yl)-2-piperidyl]phenyl]propionic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C(=O)NC4

Isomeric SMILES

C1CCN(C(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C(=O)NC4

InChI

InChI=1S/C22H24N2O3/c25-21(26)11-6-15-4-7-16(8-5-15)20-3-1-2-12-24(20)18-9-10-19-17(13-18)14-23-22(19)27/h4-5,7-10,13,20H,1-3,6,11-12,14H2,(H,23,27)(H,25,26)