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

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonyl-amino]-1-oxidanyl-ethyl]phenyl] hexadecanoate Openeye Name: [4-[2-[benzyloxycarbonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-hydroxy-ethyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonylamino]-1-hydroxyethyl]phenyl] hexadecanoate Traditional Name: palmitic acid [4-[2-[carbobenzoxy(homoveratryl)amino]-1-hydroxy-ethyl]phenyl] ester Formula: C42H59NO7 MolecularWeight: 689.92036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C42H59NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-41(45)50-37-26-24-36(25-27-37)38(44)32-43(42(46)49-33-35-20-17-16-18-21-35)30-29-34-23-28-39(47-2)40(31-34)48-3/h16-18,20-21,23-28,31,38,44H,4-15,19,22,29-30,32-33H2,1-3H3