octadecyl 4-[[(4-octadecoxycarbonylphenyl)methyl-oxidanyl-amino]methyl]benzoate

Systemtic Name: octadecyl 4-[[(4-octadecoxycarbonylphenyl)methyl-oxidanyl-amino]methyl]benzoate Openeye Name: octadecyl 4-[[hydroxy-[(4-octadecoxycarbonylphenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[hydroxy-[[4-[octadecoxy(oxo)methyl]phenyl]methyl]amino]methyl]benzoic acid octadecyl ester IUPAC Name: octadecyl 4-[[hydroxy-[(4-octadecoxycarbonylphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[hydroxy-(4-stearyloxycarbonylbenzyl)amino]methyl]benzoic acid stearyl ester Formula: C52H87NO5 MolecularWeight: 806.25088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)OCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)OCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C52H87NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-57-51(54)49-39-35-47(36-40-49)45-53(56)46-48-37-41-50(42-38-48)52(55)58-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42,56H,3-34,43-46H2,1-2H3