[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-methylbut-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-methylbut-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27NO3 MolecularWeight: 305.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-11(2)4-16(20)22-12(3)17(21)19-18-8-13-5-14(9-18)7-15(6-13)10-18/h4,12-15H,5-10H2,1-3H3,(H,19,21)/t12-,13?,14?,15?,18?/m1/s1