methyl 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-oxidanylidene-butanoate

Systemtic Name: methyl 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-oxidanylidene-butanoate Openeye Name: methyl 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-oxo-butanoate CAS Name: 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-oxobutanoic acid methyl ester IUPAC Name: methyl 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-oxobutanoate Traditional Name: 3-[(3R,5S)-3,5-dimethyl-1-adamantyl]-2-keto-butyric acid methyl ester Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)C(=O)OC)C12CC3C[C@@](C1)(C[C@](C3)(C2)C)C

InChI

InChI=1S/C17H26O3/c1-11(13(18)14(19)20-4)17-7-12-5-15(2,9-17)8-16(3,6-12)10-17/h11-12H,5-10H2,1-4H3/t11?,12?,15-,16+,17?