[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H24N2O4/c1-12(17-22-16-5-3-2-4-15(16)18(24)23-17)27-19(25)20-7-13-6-14(8-20)10-21(26,9-13)11-20/h2-5,12-14,26H,6-11H2,1H3,(H,22,23,24)/t12-,13-,14+,20?,21?/m1/s1