methyl 3-[2-[1-(3-oxidanylidene-1,2-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoate

Systemtic Name: methyl 3-[2-[1-(3-oxidanylidene-1,2-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoate Openeye Name: methyl 3-[2-[1-(3-oxoisoindolin-5-yl)-2-piperidyl]phenyl]propanoate CAS Name: 3-[2-[1-(3-oxo-1,2-dihydroisoindol-5-yl)-2-piperidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(3-oxo-1,2-dihydroisoindol-5-yl)piperidin-2-yl]phenyl]propanoate Traditional Name: 3-[2-[1-(3-ketoisoindolin-5-yl)-2-piperidyl]phenyl]propionic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(CNC4=O)C=C3

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(CNC4=O)C=C3

InChI

InChI=1S/C23H26N2O3/c1-28-22(26)12-10-16-6-2-3-7-19(16)21-8-4-5-13-25(21)18-11-9-17-15-24-23(27)20(17)14-18/h2-3,6-7,9,11,14,21H,4-5,8,10,12-13,15H2,1H3,(H,24,27)