5-(2-aminocarbonylphenoxy)-2-hexyl-3-oxidanyl-hexadecanoic acid

Systemtic Name: 5-(2-aminocarbonylphenoxy)-2-hexyl-3-oxidanyl-hexadecanoic acid Openeye Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxy-hexadecanoic acid CAS Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxyhexadecanoic acid IUPAC Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxyhexadecanoic acid Traditional Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxy-palmitic acid Formula: C29H49NO5 MolecularWeight: 491.70306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC1=CC=CC=C1C(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C29H49NO5/c1-3-5-7-9-10-11-12-13-14-18-23(35-27-21-17-16-20-25(27)28(30)32)22-26(31)24(29(33)34)19-15-8-6-4-2/h16-17,20-21,23-24,26,31H,3-15,18-19,22H2,1-2H3,(H2,30,32)(H,33,34)