3-[3-(dimethylamino)-2-methyl-propanoyl]oxybutan-2-yl (E)-2-methylheptadec-9-enoate

Systemtic Name: 3-[3-(dimethylamino)-2-methyl-propanoyl]oxybutan-2-yl (E)-2-methylheptadec-9-enoate Openeye Name: [2-[3-(dimethylamino)-2-methyl-propanoyl]oxy-1-methyl-propyl] (E)-2-methylheptadec-9-enoate CAS Name: (E)-2-methyl-9-heptadecenoic acid 3-[3-(dimethylamino)-2-methyl-1-oxopropoxy]butan-2-yl ester IUPAC Name: 3-[3-(dimethylamino)-2-methylpropanoyl]oxybutan-2-yl (E)-2-methylheptadec-9-enoate Traditional Name: (E)-2-methylheptadec-9-enoic acid [2-[3-(dimethylamino)-2-methyl-propanoyl]oxy-1-methyl-propyl] ester Formula: C28H53NO4 MolecularWeight: 467.72472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)27(30)32-25(4)26(5)33-28(31)24(3)22-29(6)7/h14-15,23-26H,8-13,16-22H2,1-7H3/b15-14+