2,2-dimethyl-4-(7-methyl-1-oxidanyl-hexadec-2-ynyl)-1,3-oxazolidine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(7-methyl-1-oxidanyl-hexadec-2-ynyl)-1,3-oxazolidine-3-carboxylic acid Openeye Name: 4-(1-hydroxy-7-methyl-hexadec-2-ynyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid CAS Name: 4-(1-hydroxy-7-methylhexadec-2-ynyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid IUPAC Name: 4-(1-hydroxy-7-methylhexadec-2-ynyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid Traditional Name: 4-(1-hydroxy-7-methyl-hexadec-2-ynyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid Formula: C23H41NO4 MolecularWeight: 395.57594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CCCC#CC(C1COC(N1C(=O)O)(C)C)O

Isomeric SMILES

CCCCCCCCCC(C)CCCC#CC(C1COC(N1C(=O)O)(C)C)O

InChI

InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-12-15-19(2)16-13-11-14-17-21(25)20-18-28-23(3,4)24(20)22(26)27/h19-21,25H,5-13,15-16,18H2,1-4H3,(H,26,27)