2-(3,5-dimethylphenoxy)ethyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H21NO5/c1-14-9-15(2)11-17(10-14)26-7-8-27-20(24)13-22-19(23)12-16-5-3-4-6-18(16)21(22)25/h3-6,9-11H,7-8,12-13H2,1-2H3