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

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-methyl-butyl] (E)-docos-13-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-methyl-butyl] (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-methylbutyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-methylbutyl] (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-methyl-butyl] ester Formula: C33H63NO4 MolecularWeight: 537.85762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H63NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31(35)38-28-29(3)26-27-37-33(36)32(34)30(4)6-2/h13-14,29-30,32H,5-12,15-28,34H2,1-4H3/b14-13+