[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methoxy-5-methyl-phenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methoxy-5-methyl-phenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-methoxy-5-methyl-phenyl)acetate CAS Name: 2-(2-methoxy-5-methylphenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate Traditional Name: 2-(2-methoxy-5-methyl-phenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO4/c1-14-4-5-20(27-3)19(6-14)10-21(25)28-15(2)22(26)24-23-11-16-7-17(12-23)9-18(8-16)13-23/h4-6,15-18H,7-13H2,1-3H3,(H,24,26)/t15-,16?,17?,18?,23?/m1/s1