propyl 2-(5,6-dimethyl-3-oxidanylidene-2-pyridin-3-yl-1H-isoindol-1-yl)ethanoate

Systemtic Name: propyl 2-(5,6-dimethyl-3-oxidanylidene-2-pyridin-3-yl-1H-isoindol-1-yl)ethanoate Openeye Name: propyl 2-[5,6-dimethyl-3-oxo-2-(3-pyridyl)isoindolin-1-yl]acetate CAS Name: 2-[5,6-dimethyl-3-oxo-2-(3-pyridinyl)-1H-isoindol-1-yl]acetic acid propyl ester IUPAC Name: propyl 2-(5,6-dimethyl-3-oxo-2-pyridin-3-yl-1H-isoindol-1-yl)acetate Traditional Name: 2-[3-keto-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-yl]acetic acid propyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C2=CC(=C(C=C2C(=O)N1C3=CN=CC=C3)C)C

Isomeric SMILES

CCCOC(=O)CC1C2=CC(=C(C=C2C(=O)N1C3=CN=CC=C3)C)C

InChI

InChI=1S/C20H22N2O3/c1-4-8-25-19(23)11-18-16-9-13(2)14(3)10-17(16)20(24)22(18)15-6-5-7-21-12-15/h5-7,9-10,12,18H,4,8,11H2,1-3H3