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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(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-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-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=C(C=C4)OC

Isomeric SMILES

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

InChI

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