ethyl (4S)-2-[[(3S)-1-bromanylhexan-3-yl]amino]-4-methyl-cyclohexene-1-carboxylate

Systemtic Name: ethyl (4S)-2-[[(3S)-1-bromanylhexan-3-yl]amino]-4-methyl-cyclohexene-1-carboxylate Openeye Name: ethyl (4S)-2-[[(1S)-1-(2-bromoethyl)butyl]amino]-4-methyl-cyclohexene-1-carboxylate CAS Name: (4S)-2-[[(3S)-1-bromohexan-3-yl]amino]-4-methyl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-[[(3S)-1-bromohexan-3-yl]amino]-4-methylcyclohexene-1-carboxylate Traditional Name: (4S)-2-[[(1S)-1-(2-bromoethyl)butyl]amino]-4-methyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H28BrNO2 MolecularWeight: 346.30302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCBr)NC1=C(CCC(C1)C)C(=O)OCC

Isomeric SMILES

CCC[C@@H](CCBr)NC1=C(CC[C@@H](C1)C)C(=O)OCC

InChI

InChI=1S/C16H28BrNO2/c1-4-6-13(9-10-17)18-15-11-12(3)7-8-14(15)16(19)20-5-2/h12-13,18H,4-11H2,1-3H3/t12-,13-/m0/s1