(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO6/c1-3-28-19-9-8-15(14(2)24)10-17(19)13-29-21(26)12-23-20(25)11-16-6-4-5-7-18(16)22(23)27/h4-10H,3,11-13H2,1-2H3