5-(2-aminocarbonylphenoxy)-2-hexyl-3-oxidanyl-hexadecanoate

Systemtic Name: 5-(2-aminocarbonylphenoxy)-2-hexyl-3-oxidanyl-hexadecanoate Openeye Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxy-hexadecanoate CAS Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxyhexadecanoate IUPAC Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxyhexadecanoate Traditional Name: 5-(2-carbamoylphenoxy)-2-hexyl-3-hydroxy-palmitate Formula: C29H48NO5- MolecularWeight: 490.69512

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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)/p-1