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

Systemtic Name: 3-[4-[1-(3-oxidanylidene-1,2-dihydroisoindol-5-yl)piperidin-2-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[1-(3-oxoisoindolin-5-yl)-2-piperidyl]cyclohexyl]propanoic acid CAS Name: 3-[4-[1-(3-oxo-1,2-dihydroisoindol-5-yl)-2-piperidinyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[1-(3-oxo-1,2-dihydroisoindol-5-yl)piperidin-2-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[1-(3-ketoisoindolin-5-yl)-2-piperidyl]cyclohexyl]propionic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2CCC(CC2)CCC(=O)O)C3=CC4=C(CNC4=O)C=C3

Isomeric SMILES

C1CCN(C(C1)C2CCC(CC2)CCC(=O)O)C3=CC4=C(CNC4=O)C=C3

InChI

InChI=1S/C22H30N2O3/c25-21(26)11-6-15-4-7-16(8-5-15)20-3-1-2-12-24(20)18-10-9-17-14-23-22(27)19(17)13-18/h9-10,13,15-16,20H,1-8,11-12,14H2,(H,23,27)(H,25,26)