5,5-dimethyl-N-[3-[4-[(E)-octadec-9-enoyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-phenyl-1,3-dioxane-4-carboxamide

Systemtic Name: 5,5-dimethyl-N-[3-[4-[(E)-octadec-9-enoyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-phenyl-1,3-dioxane-4-carboxamide Openeye Name: 5,5-dimethyl-N-[3-[4-[(E)-octadec-9-enoyl]piperazin-1-yl]-3-oxo-propyl]-2-phenyl-1,3-dioxane-4-carboxamide CAS Name: 5,5-dimethyl-N-[3-oxo-3-[4-[(E)-1-oxooctadec-9-enyl]-1-piperazinyl]propyl]-2-phenyl-1,3-dioxane-4-carboxamide IUPAC Name: 5,5-dimethyl-N-[3-[4-[(E)-octadec-9-enoyl]piperazin-1-yl]-3-oxopropyl]-2-phenyl-1,3-dioxane-4-carboxamide Traditional Name: N-[3-keto-3-[4-[(E)-octadec-9-enoyl]piperazino]propyl]-5,5-dimethyl-2-phenyl-1,3-dioxane-4-carboxamide Formula: C38H61N3O5 MolecularWeight: 639.90804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C2C(COC(O2)C3=CC=CC=C3)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1CCN(CC1)C(=O)CCNC(=O)C2C(COC(O2)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C38H61N3O5/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(44)35-38(2,3)31-45-37(46-35)32-22-19-18-20-23-32/h11-12,18-20,22-23,35,37H,4-10,13-17,21,24-31H2,1-3H3,(H,39,44)/b12-11+