(phenylmethyl) (4R)-2,2-dimethyl-4-[(E,3S)-3-oxidanylhexadec-1-enyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-2,2-dimethyl-4-[(E,3S)-3-oxidanylhexadec-1-enyl]-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (4R)-4-[(E,3S)-3-hydroxyhexadec-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4R)-4-[(E,3S)-3-hydroxyhexadec-1-enyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-[(E,3S)-3-hydroxyhexadec-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4R)-4-[(E,3S)-3-hydroxyhexadec-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid benzyl ester Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C=CC1COC(N1C(=O)OCC2=CC=CC=C2)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC[C@@H](/C=C/[C@@H]1COC(N1C(=O)OCC2=CC=CC=C2)(C)C)O

InChI

InChI=1S/C29H47NO4/c1-4-5-6-7-8-9-10-11-12-13-17-20-27(31)22-21-26-24-34-29(2,3)30(26)28(32)33-23-25-18-15-14-16-19-25/h14-16,18-19,21-22,26-27,31H,4-13,17,20,23-24H2,1-3H3/b22-21+/t26-,27+/m1/s1