[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H30O4/c1-14-4-21-20(13-28-22(21)5-15(14)2)9-23(26)29-16(3)24(27)25-10-17-6-18(11-25)8-19(7-17)12-25/h4-5,13,16-19H,6-12H2,1-3H3/t16-,17?,18?,19?,25?/m1/s1