[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [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=CC(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28O5/c1-13(27-21(24)17-4-5-18(25-2)19(9-17)26-3)20(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