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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C(=O)CC5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C(=O)CC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H27NO5/c26-20(24-11-15-7-16(12-24)9-17(8-15)13-24)14-30-22(28)5-6-25-21(27)10-18-3-1-2-4-19(18)23(25)29/h1-4,15-17H,5-14H2