[(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] 2-oxidanylbenzoate

Systemtic Name: [(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] 2-oxidanylbenzoate Openeye Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidinyl] ester IUPAC Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [(2R,3R,6S)-6-(11-ketododecyl)-2-methyl-3-piperidyl] ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCC(=O)C)OC(=O)C2=CC=CC=C2O

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCCC(=O)C)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C25H39NO4/c1-19(27)13-9-7-5-3-4-6-8-10-14-21-17-18-24(20(2)26-21)30-25(29)22-15-11-12-16-23(22)28/h11-12,15-16,20-21,24,26,28H,3-10,13-14,17-18H2,1-2H3/t20-,21+,24-/m1/s1