[3-acetyloxy-2,2-dimethyl-4-[[3-[4-[(9E,12E)-octadeca-9,12-dienoyl]piperazin-1-yl]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butyl] ethanoate

Systemtic Name: [3-acetyloxy-2,2-dimethyl-4-[[3-[4-[(9E,12E)-octadeca-9,12-dienoyl]piperazin-1-yl]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butyl] ethanoate Openeye Name: [3-acetoxy-2,2-dimethyl-4-[[3-[4-[(9E,12E)-octadeca-9,12-dienoyl]piperazin-1-yl]-3-oxo-propyl]amino]-4-oxo-butyl] acetate CAS Name: acetic acid [3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[4-[(9E,12E)-1-oxooctadeca-9,12-dienyl]-1-piperazinyl]propyl]amino]butyl] ester IUPAC Name: [3-acetyloxy-2,2-dimethyl-4-[[3-[4-[(9E,12E)-octadeca-9,12-dienoyl]piperazin-1-yl]-3-oxopropyl]amino]-4-oxobutyl] acetate Traditional Name: acetic acid [3-acetoxy-4-keto-4-[[3-keto-3-[4-[(9E,12E)-octadeca-9,12-dienoyl]piperazino]propyl]amino]-2,2-dimethyl-butyl] ester Formula: C35H59N3O7 MolecularWeight: 633.85886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

InChI

InChI=1S/C35H59N3O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(41)37-24-26-38(27-25-37)32(42)22-23-36-34(43)33(45-30(3)40)35(4,5)28-44-29(2)39/h10-11,13-14,33H,6-9,12,15-28H2,1-5H3,(H,36,43)/b11-10+,14-13+