[4-(2-azanyl-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-octadec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-octadec-9-enoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-3-methylbutyl] ester IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-3-methylbutyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-(2-amino-3-methyl-butanoyl)oxy-3-methyl-butyl] ester Formula: C28H53NO4 MolecularWeight: 467.72472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)COC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC(C)COC(=O)C(C(C)C)N

InChI

InChI=1S/C28H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)32-22-21-25(4)23-33-28(31)27(29)24(2)3/h12-13,24-25,27H,5-11,14-23,29H2,1-4H3/b13-12+