4-oxidanylbutyl 4-(hexadecylamino)benzoate

Systemtic Name: 4-oxidanylbutyl 4-(hexadecylamino)benzoate Openeye Name: 4-hydroxybutyl 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid 4-hydroxybutyl ester Formula: C27H47NO3 MolecularWeight: 433.66698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCCCCO

InChI

InChI=1S/C27H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-26-20-18-25(19-21-26)27(30)31-24-17-16-23-29/h18-21,28-29H,2-17,22-24H2,1H3