(3S)-3-(2-methylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate

Systemtic Name: (3S)-3-(2-methylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate Openeye Name: (3S)-3-(o-tolyl)-3-(1-oxoisoindolin-2-yl)propanoate CAS Name: (3S)-3-(2-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate IUPAC Name: (3S)-3-(2-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate Traditional Name: (3S)-3-(1-ketoisoindolin-2-yl)-3-(o-tolyl)propionate Formula: C18H16NO3- MolecularWeight: 294.32454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)[O-])N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)[O-])N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO3/c1-12-6-2-4-8-14(12)16(10-17(20)21)19-11-13-7-3-5-9-15(13)18(19)22/h2-9,16H,10-11H2,1H3,(H,20,21)/p-1/t16-/m0/s1