(3S)-3-(4-methylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: (3S)-3-(4-methylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: (3S)-3-(1-oxoisoindolin-2-yl)-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: (3S)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: (3S)-3-(1-ketoisoindolin-2-yl)-3-(p-tolyl)propionic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

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