3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzoate

Systemtic Name: 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzoate Openeye Name: 3-(5,6-dimethylisoindolin-2-yl)benzoate CAS Name: 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzoate IUPAC Name: 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzoate Traditional Name: 3-(5,6-dimethylisoindolin-2-yl)benzoate Formula: C17H16NO2- MolecularWeight: 266.31444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CN(CC2=C1)C3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C2CN(CC2=C1)C3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C17H17NO2/c1-11-6-14-9-18(10-15(14)7-12(11)2)16-5-3-4-13(8-16)17(19)20/h3-8H,9-10H2,1-2H3,(H,19,20)/p-1