[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethoxybenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethoxybenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-13(28-21(25)17-7-18(26-2)9-19(8-17)27-3)20(24)23-22-10-14-4-15(11-22)6-16(5-14)12-22/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,23,24)/t13-,14?,15?,16?,22?/m1/s1