[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethoxybenzoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethoxybenzoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [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=C(C=CC=C4OC)OC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC=C4OC)OC

InChI

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