[2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] benzoate

Systemtic Name: [2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] benzoate Openeye Name: [3-hydroxy-2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxo-propyl]amino]-4-oxo-butyl] benzoate CAS Name: benzoic acid [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[4-(1-oxooctadecyl)-1-piperazinyl]propyl]amino]butyl] ester IUPAC Name: [3-hydroxy-2,2-dimethyl-4-[[3-(4-octadecanoylpiperazin-1-yl)-3-oxopropyl]amino]-4-oxobutyl] benzoate Traditional Name: benzoic acid [3-hydroxy-4-keto-4-[[3-keto-3-(4-stearoylpiperazino)propyl]amino]-2,2-dimethyl-butyl] ester Formula: C38H63N3O6 MolecularWeight: 657.92332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C38H63N3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(42)40-27-29-41(30-28-40)34(43)25-26-39-36(45)35(44)38(2,3)31-47-37(46)32-22-19-18-20-23-32/h18-20,22-23,35,44H,4-17,21,24-31H2,1-3H3,(H,39,45)