[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H28N4O5/c29-20(26-23(32)27-24-10-15-7-16(11-24)9-17(8-15)12-24)13-33-21(30)5-6-28-14-25-19-4-2-1-3-18(19)22(28)31/h1-4,14-17H,5-13H2,(H2,26,27,29,32)