[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-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-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

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=CC=C4OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=CC=C4OC

InChI

InChI=1S/C23H29NO4/c1-15(28-21(25)8-7-19-5-3-4-6-20(19)27-2)22(26)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h3-8,15-18H,9-14H2,1-2H3,(H,24,26)/b8-7+/t15-,16?,17?,18?,23?/m1/s1