[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]phenyl] hexadecanoate

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]phenyl] hexadecanoate Openeye Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] hexadecanoate Traditional Name: palmitic acid [4-[2-(homoveratrylamino)-1-hydroxy-ethyl]phenyl] ester Formula: C34H53NO5 MolecularWeight: 555.78832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(CNCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(CNCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C34H53NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(37)40-30-21-19-29(20-22-30)31(36)27-35-25-24-28-18-23-32(38-2)33(26-28)39-3/h18-23,26,31,35-36H,4-17,24-25,27H2,1-3H3