[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO4/c1-14-3-4-20-19(13-28-21(20)5-14)9-22(26)29-15(2)23(27)25-24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,13,15-18H,6-12H2,1-2H3,(H,25,27)/t15-,16?,17?,18?,24?/m1/s1