[(E)-4-oxidanylbut-2-enyl] 4-(hexadecylamino)benzoate

Systemtic Name: [(E)-4-oxidanylbut-2-enyl] 4-(hexadecylamino)benzoate Openeye Name: [(E)-4-hydroxybut-2-enyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [(E)-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-4-hydroxybut-2-enyl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid [(E)-4-hydroxybut-2-enyl] ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC/C=C/CO

InChI

InChI=1S/C27H45NO3/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/h16-21,28-29H,2-15,22-24H2,1H3/b17-16+