3,3-dimethyl-2,4-bis(oxidanyl)butanamide; (E)-1-(4-propanoylpiperazin-1-yl)octadec-9-en-1-one

Systemtic Name: 3,3-dimethyl-2,4-bis(oxidanyl)butanamide; (E)-1-(4-propanoylpiperazin-1-yl)octadec-9-en-1-one Openeye Name: 2,4-dihydroxy-3,3-dimethyl-butanamide; (E)-1-(4-propanoylpiperazin-1-yl)octadec-9-en-1-one CAS Name: 2,4-dihydroxy-3,3-dimethylbutanamide; (E)-1-[4-(1-oxopropyl)-1-piperazinyl]-9-octadecen-1-one IUPAC Name: 2,4-dihydroxy-3,3-dimethylbutanamide; (E)-1-(4-propanoylpiperazin-1-yl)octadec-9-en-1-one Traditional Name: 2,4-dihydroxy-3,3-dimethyl-butyramide; (E)-1-(4-propionylpiperazino)octadec-9-en-1-one Formula: C31H59N3O5 MolecularWeight: 553.81726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1CCN(CC1)C(=O)CC.CC(C)(CO)C(C(=O)N)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1CCN(CC1)C(=O)CC.CC(C)(CO)C(C(=O)N)O

InChI

InChI=1S/C25H46N2O2.C6H13NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-22-20-26(21-23-27)24(28)4-2;1-6(2,3-8)4(9)5(7)10/h11-12H,3-10,13-23H2,1-2H3;4,8-9H,3H2,1-2H3,(H2,7,10)/b12-11+;