(4-propan-2-ylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (4-isopropylbenzyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4/c1-14(2)16-9-7-15(8-10-16)13-26-20(24)12-22-19(23)11-17-5-3-4-6-18(17)21(22)25/h3-10,14H,11-13H2,1-2H3