[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-methyl-butyl] (E)-hexadec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-methyl-butyl] (E)-hexadec-9-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-methyl-butyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-methylbutyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-methylbutyl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-methyl-butyl] ester Formula: C27H51NO4 MolecularWeight: 453.69814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)CC)N

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)CC)N

InChI

InChI=1S/C27H51NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)32-22-23(3)20-21-31-27(30)26(28)24(4)6-2/h11-12,23-24,26H,5-10,13-22,28H2,1-4H3/b12-11+