[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H27N3O4/c1-14(21(28)25-23-9-15-6-16(10-23)8-17(7-15)11-23)30-20(27)12-26-13-24-19-5-3-2-4-18(19)22(26)29/h2-5,13-17H,6-12H2,1H3,(H,25,28)/t14-,15?,16?,17?,23?/m1/s1