[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethoxybenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethoxybenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-13(28-21(25)18-5-4-17(26-2)9-19(18)27-3)20(24)23-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,23,24)/t13-,14?,15?,16?,22?/m1/s1