[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=O)C5=CC=CC=C5O4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C23H25NO5/c1-13(21(26)24-23-10-14-6-15(11-23)8-16(7-14)12-23)28-22(27)20-9-18(25)17-4-2-3-5-19(17)29-20/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,24,26)/t13-,14?,15?,16?,23?/m1/s1