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

Systemtic Name: [(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(2R,3R,6S)-6-(11-ketododecyl)-2-methyl-3-piperidyl] ester Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCC(=O)C)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO3/c1-22(29)14-10-7-5-3-4-6-8-13-17-25-19-20-26(23(2)28-25)31-27(30)21-18-24-15-11-9-12-16-24/h9,11-12,15-16,18,21,23,25-26,28H,3-8,10,13-14,17,19-20H2,1-2H3/b21-18+/t23-,25+,26-/m1/s1