ethyl 1,3-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 1,3-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate Openeye Name: ethyl 2-(4-isopropylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 1,3-dioxo-2-(4-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dioxo-2-(4-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-p-cumenyl-4H-isoquinoline-4-carboxylic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21NO4/c1-4-26-21(25)18-16-7-5-6-8-17(16)19(23)22(20(18)24)15-11-9-14(10-12-15)13(2)3/h5-13,18H,4H2,1-3H3