[4-(2-azanyl-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-docos-13-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-docos-13-enoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-3-methyl-butyl] (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-3-methylbutyl] ester IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-3-methylbutyl] (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid [4-(2-amino-3-methyl-butanoyl)oxy-3-methyl-butyl] ester Formula: C32H61NO4 MolecularWeight: 523.83104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H61NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(34)36-26-25-29(4)27-37-32(35)31(33)28(2)3/h12-13,28-29,31H,5-11,14-27,33H2,1-4H3/b13-12+