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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(C=C3)C(=O)NC4

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(C=C3)C(=O)NC4

InChI

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