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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO5/c1-2-15-7-9-16(10-8-15)19(24)14-28-21(26)11-12-23-20(25)13-17-5-3-4-6-18(17)22(23)27/h3-10H,2,11-14H2,1H3