(3-oxidanyl-2-oxidanylidene-propyl) 4-(hexadecylamino)benzoate

Systemtic Name: (3-oxidanyl-2-oxidanylidene-propyl) 4-(hexadecylamino)benzoate Openeye Name: (3-hydroxy-2-oxo-propyl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (3-hydroxy-2-oxopropyl) ester IUPAC Name: (3-hydroxy-2-oxopropyl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (3-hydroxy-2-keto-propyl) ester Formula: C26H43NO4 MolecularWeight: 433.62392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(=O)CO

InChI

InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24-18-16-23(17-19-24)26(30)31-22-25(29)21-28/h16-19,27-28H,2-15,20-22H2,1H3