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

Systemtic Name: [(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] benzoate Openeye Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [(2R,3R,6S)-6-(11-ketododecyl)-2-methyl-3-piperidyl] ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1