1-[3-(dimethylamino)-2-methyl-propanoyl]oxypropan-2-yl (E)-heptadec-9-enoate

Systemtic Name: 1-[3-(dimethylamino)-2-methyl-propanoyl]oxypropan-2-yl (E)-heptadec-9-enoate Openeye Name: [2-[3-(dimethylamino)-2-methyl-propanoyl]oxy-1-methyl-ethyl] (E)-heptadec-9-enoate CAS Name: (E)-9-heptadecenoic acid 1-[3-(dimethylamino)-2-methyl-1-oxopropoxy]propan-2-yl ester IUPAC Name: 1-[3-(dimethylamino)-2-methylpropanoyl]oxypropan-2-yl (E)-heptadec-9-enoate Traditional Name: (E)-heptadec-9-enoic acid [2-[3-(dimethylamino)-2-methyl-propanoyl]oxy-1-methyl-ethyl] ester Formula: C26H49NO4 MolecularWeight: 439.67156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCC(=O)OC(C)COC(=O)C(C)CN(C)C

Isomeric SMILES

CCCCCCC/C=C/CCCCCCCC(=O)OC(C)COC(=O)C(C)CN(C)C

InChI

InChI=1S/C26H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)31-24(3)22-30-26(29)23(2)21-27(4)5/h12-13,23-24H,6-11,14-22H2,1-5H3/b13-12+