[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(5R,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(5R,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C20H30BrNO3 MolecularWeight: 412.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H30BrNO3/c1-14-2-4-22(5-3-14)17(23)12-25-18(24)11-19-7-15-6-16(8-19)10-20(21,9-15)13-19/h14-16H,2-13H2,1H3/t15-,16-,19?,20?/m1/s1