(phenylmethyl) (2S)-2-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-(3-bromanyl-2-oxidanylidene-piperidin-1-yl)-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-(3-bromo-2-oxo-1-piperidyl)-4-methyl-pentanoate CAS Name: (2S)-2-(3-bromo-2-oxo-1-piperidinyl)-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(3-bromo-2-oxopiperidin-1-yl)-4-methylpentanoate Traditional Name: (2S)-2-(3-bromo-2-keto-piperidino)-4-methyl-valeric acid benzyl ester Formula: C18H24BrNO3 MolecularWeight: 382.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)N2CCCC(C2=O)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N2CCCC(C2=O)Br

InChI

InChI=1S/C18H24BrNO3/c1-13(2)11-16(20-10-6-9-15(19)17(20)21)18(22)23-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t15?,16-/m0/s1