[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28FNO4 MolecularWeight: 401.471123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO4/c1-14(29-21(26)6-4-15-3-5-20(28-2)19(24)10-15)22(27)25-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,10,14,16-18H,7-9,11-13H2,1-2H3,(H,25,27)/b6-4+/t14-,16?,17?,18?,23?/m1/s1