(phenylmethyl) (2S)-4-methyl-2-[(3R)-3-oxidanyl-2-oxidanylidene-piperidin-1-yl]pentanoate

Systemtic Name: (phenylmethyl) (2S)-4-methyl-2-[(3R)-3-oxidanyl-2-oxidanylidene-piperidin-1-yl]pentanoate Openeye Name: benzyl (2S)-2-[(3R)-3-hydroxy-2-oxo-1-piperidyl]-4-methyl-pentanoate CAS Name: (2S)-2-[(3R)-3-hydroxy-2-oxo-1-piperidinyl]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3R)-3-hydroxy-2-oxopiperidin-1-yl]-4-methylpentanoate Traditional Name: (2S)-2-[(3R)-3-hydroxy-2-keto-piperidino]-4-methyl-valeric acid benzyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N2CCC[C@H](C2=O)O

InChI

InChI=1S/C18H25NO4/c1-13(2)11-15(19-10-6-9-16(20)17(19)21)18(22)23-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,20H,6,9-12H2,1-2H3/t15-,16+/m0/s1