[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H28O5/c1-13-18(25-2)7-17(8-19(13)26-3)21(24)27-12-20(23)22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,14-16H,4-6,9-12H2,1-3H3