ethyl 2-[(4-ethoxyphenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: ethyl 2-[(4-ethoxyphenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[(4-ethoxyphenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(4-ethoxybenzyl)-1,3-diketo-4H-isoquinoline-4-carboxylic acid ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C21H21NO5/c1-3-26-15-11-9-14(10-12-15)13-22-19(23)17-8-6-5-7-16(17)18(20(22)24)21(25)27-4-2/h5-12,18H,3-4,13H2,1-2H3