[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H26O3/c1-13-3-4-18(5-14(13)2)19(22)12-24-20(23)21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,6-12H2,1-2H3