[(2S,4S)-2-ethynyl-2-[(2R)-2-methoxybut-3-enyl]-3-oxidanylidene-1-prop-2-enyl-piperidin-4-yl]methyl 2-bromanylethanoate

Systemtic Name: [(2S,4S)-2-ethynyl-2-[(2R)-2-methoxybut-3-enyl]-3-oxidanylidene-1-prop-2-enyl-piperidin-4-yl]methyl 2-bromanylethanoate Openeye Name: [(2S,4S)-1-allyl-2-ethynyl-2-[(2R)-2-methoxybut-3-enyl]-3-oxo-4-piperidyl]methyl 2-bromoacetate CAS Name: 2-bromoacetic acid [(2S,4S)-2-ethynyl-2-[(2R)-2-methoxybut-3-enyl]-3-oxo-1-prop-2-enyl-4-piperidinyl]methyl ester IUPAC Name: [(2S,4S)-2-ethynyl-2-[(2R)-2-methoxybut-3-enyl]-3-oxo-1-prop-2-enylpiperidin-4-yl]methyl 2-bromoacetate Traditional Name: 2-bromoacetic acid [(2S,4S)-1-allyl-2-ethynyl-3-keto-2-[(2R)-2-methoxybut-3-enyl]-4-piperidyl]methyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1(C(=O)C(CCN1CC=C)COC(=O)CBr)C#C)C=C

Isomeric SMILES

CO[C@H](C[C@@]1(C(=O)[C@@H](CCN1CC=C)COC(=O)CBr)C#C)C=C

InChI

InChI=1S/C18H24BrNO4/c1-5-9-20-10-8-14(13-24-16(21)12-19)17(22)18(20,7-3)11-15(6-2)23-4/h3,5-6,14-15H,1-2,8-13H2,4H3/t14-,15-,18+/m0/s1