[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H31NO5/c1-4-28-20-10-18(5-6-19(20)27-3)22(26)29-14(2)21(25)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,14-17H,4,7-9,11-13H2,1-3H3,(H,24,25)/t14-,15?,16?,17?,23?/m1/s1