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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-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)C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C

InChI

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