tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-7-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-7-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-[(3-bromophenyl)methyl]-2-hydroxy-6-methyl-4-oxo-heptyl]carbamate CAS Name: N-[(2S,3R)-1-(3-bromophenyl)-3-hydroxy-7-methyl-5-oxooctan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-3-hydroxy-7-methyl-5-oxooctan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-(3-bromobenzyl)-2-hydroxy-4-keto-6-methyl-heptyl]carbamic acid tert-butyl ester Formula: C20H30BrNO4 MolecularWeight: 428.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)CC(C(CC1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)CC(=O)C[C@H]([C@H](CC1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H30BrNO4/c1-13(2)9-16(23)12-18(24)17(22-19(25)26-20(3,4)5)11-14-7-6-8-15(21)10-14/h6-8,10,13,17-18,24H,9,11-12H2,1-5H3,(H,22,25)/t17-,18+/m0/s1