[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] octadecanoate

Systemtic Name: [2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] octadecanoate Openeye Name: [2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] octadecanoate CAS Name: octadecanoic acid [2-methoxy-4-[[[(E)-8-methyl-1-oxonon-6-enyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] octadecanoate Traditional Name: stearic acid [2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl] ester Formula: C36H61NO4 MolecularWeight: 571.87384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CNC(=O)CCCCC=CC(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CNC(=O)CCCC/C=C/C(C)C)OC

InChI

InChI=1S/C36H61NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-36(39)41-33-28-27-32(29-34(33)40-4)30-37-35(38)25-22-20-19-21-24-31(2)3/h21,24,27-29,31H,5-20,22-23,25-26,30H2,1-4H3,(H,37,38)/b24-21+