12-[(2R,4S,5S,6R)-5-(methoxymethoxy)-6-methyl-4-oxidanyl-piperidin-2-yl]dodecyl benzoate

Systemtic Name: 12-[(2R,4S,5S,6R)-5-(methoxymethoxy)-6-methyl-4-oxidanyl-piperidin-2-yl]dodecyl benzoate Openeye Name: 12-[(2R,4S,5S,6R)-4-hydroxy-5-(methoxymethoxy)-6-methyl-2-piperidyl]dodecyl benzoate CAS Name: benzoic acid 12-[(2R,4S,5S,6R)-4-hydroxy-5-(methoxymethoxy)-6-methyl-2-piperidinyl]dodecyl ester IUPAC Name: 12-[(2R,4S,5S,6R)-4-hydroxy-5-(methoxymethoxy)-6-methylpiperidin-2-yl]dodecyl benzoate Traditional Name: benzoic acid 12-[(2R,4S,5S,6R)-4-hydroxy-5-(methoxymethoxy)-6-methyl-2-piperidyl]dodecyl ester Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(N1)CCCCCCCCCCCCOC(=O)C2=CC=CC=C2)O)OCOC

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](C[C@H](N1)CCCCCCCCCCCCOC(=O)C2=CC=CC=C2)O)OCOC

InChI

InChI=1S/C27H45NO5/c1-22-26(33-21-31-2)25(29)20-24(28-22)18-14-9-7-5-3-4-6-8-10-15-19-32-27(30)23-16-12-11-13-17-23/h11-13,16-17,22,24-26,28-29H,3-10,14-15,18-21H2,1-2H3/t22-,24-,25+,26+/m1/s1