[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C19H26BrNO4 MolecularWeight: 412.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H26BrNO4/c1-14-6-2-3-9-17(14)21-18(22)13-25-19(23)10-5-11-24-16-8-4-7-15(20)12-16/h4,7-8,12,14,17H,2-3,5-6,9-11,13H2,1H3,(H,21,22)/t14-,17-/m0/s1