[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-13(24-19(23)17-5-3-2-4-6-17)18(22)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16H,7-12H2,1H3,(H,21,22)