[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=CC=CC=C5OC4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=CC=CC=C5OC4

InChI

InChI=1S/C23H27NO4/c1-14(28-22(26)19-9-18-4-2-3-5-20(18)27-13-19)21(25)24-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,9,14-17H,6-8,10-13H2,1H3,(H,24,25)/t14-,15?,16?,17?,23?/m1/s1