[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H23NO5/c1-2-3-6-16-9-11-17(12-10-16)20(25)15-29-22(27)14-24-21(26)13-18-7-4-5-8-19(18)23(24)28/h4-5,7-12H,2-3,6,13-15H2,1H3