[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H31NO5/c1-14(29-21(25)10-15-4-5-19(27-2)20(9-15)28-3)22(26)24-23-11-16-6-17(12-23)8-18(7-16)13-23/h4-5,9,14,16-18H,6-8,10-13H2,1-3H3,(H,24,26)/t14-,16?,17?,18?,23?/m1/s1