hexyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: hexyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: hexyl 2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-4H-isoquinoline-4-carboxylic acid hexyl ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C24H27NO5/c1-3-5-6-9-16-30-24(28)21-19-10-7-8-11-20(19)22(26)25(23(21)27)17-12-14-18(15-13-17)29-4-2/h7-8,10-15,21H,3-6,9,16H2,1-2H3