4-[2-methyl-4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]benzoic acid

Systemtic Name: 4-[2-methyl-4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]benzoic acid Openeye Name: 4-[2-methyl-4-(1-oxoisoindolin-2-yl)phenyl]benzoic acid CAS Name: 4-[2-methyl-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzoic acid IUPAC Name: 4-[2-methyl-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzoic acid Traditional Name: 4-[4-(1-ketoisoindolin-2-yl)-2-methyl-phenyl]benzoic acid Formula: C22H17NO3 MolecularWeight: 343.37528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17NO3/c1-14-12-18(23-13-17-4-2-3-5-20(17)21(23)24)10-11-19(14)15-6-8-16(9-7-15)22(25)26/h2-12H,13H2,1H3,(H,25,26)