8-[(2R,5S,6S)-6-methyl-5-oxidanyl-1-phenylmethoxycarbonyl-piperidin-2-yl]octanoic acid

Systemtic Name: 8-[(2R,5S,6S)-6-methyl-5-oxidanyl-1-phenylmethoxycarbonyl-piperidin-2-yl]octanoic acid Openeye Name: 8-[(2R,5S,6S)-1-benzyloxycarbonyl-5-hydroxy-6-methyl-2-piperidyl]octanoic acid CAS Name: 8-[(2R,5S,6S)-5-hydroxy-6-methyl-1-phenylmethoxycarbonyl-2-piperidinyl]octanoic acid IUPAC Name: 8-[(2R,5S,6S)-5-hydroxy-6-methyl-1-phenylmethoxycarbonylpiperidin-2-yl]octanoic acid Traditional Name: 8-[(2R,5S,6S)-1-carbobenzoxy-5-hydroxy-6-methyl-2-piperidyl]caprylic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1C(=O)OCC2=CC=CC=C2)CCCCCCCC(=O)O)O

Isomeric SMILES

C[C@H]1[C@H](CC[C@H](N1C(=O)OCC2=CC=CC=C2)CCCCCCCC(=O)O)O

InChI

InChI=1S/C22H33NO5/c1-17-20(24)15-14-19(12-8-3-2-4-9-13-21(25)26)23(17)22(27)28-16-18-10-6-5-7-11-18/h5-7,10-11,17,19-20,24H,2-4,8-9,12-16H2,1H3,(H,25,26)/t17-,19+,20-/m0/s1