[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H30O3 MolecularWeight: 354.4825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H30O3/c1-14-4-5-20(6-15(14)2)22(25)16(3)26-21(24)13-23-10-17-7-18(11-23)9-19(8-17)12-23/h4-6,16-19H,7-13H2,1-3H3/t16-,17?,18?,19?,23?/m0/s1