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

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethoxybenzoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C22H28O5/c1-13(27-21(24)17-5-4-6-18(25-2)19(17)26-3)20(23)22-10-14-7-15(11-22)9-16(8-14)12-22/h4-6,13-16H,7-12H2,1-3H3/t13-,14?,15?,16?,22?/m1/s1