[(3S,4S)-3-(4-dimethylaminophenyl)carbonyloxy-1-oxidanyl-henicosan-4-yl] 4-(dimethylamino)benzoate

Systemtic Name: [(3S,4S)-3-(4-dimethylaminophenyl)carbonyloxy-1-oxidanyl-henicosan-4-yl] 4-(dimethylamino)benzoate Openeye Name: [(1S)-1-[(1S)-1-[4-(dimethylamino)benzoyl]oxy-3-hydroxy-propyl]octadecyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [(3S,4S)-3-[(4-dimethylaminophenyl)-oxomethoxy]-1-hydroxyheneicosan-4-yl] ester IUPAC Name: [(3S,4S)-3-[4-(dimethylamino)benzoyl]oxy-1-hydroxyhenicosan-4-yl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [(1S)-1-[(1S)-1-[4-(dimethylamino)benzoyl]oxy-3-hydroxy-propyl]octadecyl] ester Formula: C39H62N2O5 MolecularWeight: 638.91998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CCO)OC(=O)C1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@@H]([C@H](CCO)OC(=O)C1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C39H62N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(45-38(43)32-22-26-34(27-23-32)40(2)3)37(30-31-42)46-39(44)33-24-28-35(29-25-33)41(4)5/h22-29,36-37,42H,6-21,30-31H2,1-5H3/t36-,37-/m0/s1