[2-methoxy-4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-[[[(9E,12E)-octadeca-9,12-dienoyl]amino]methyl]phenyl] ester Formula: C28H43NO4 MolecularWeight: 457.64532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)C)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)C)OC

InChI

InChI=1S/C28H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)29-23-25-20-21-26(33-24(2)30)27(22-25)32-3/h8-9,11-12,20-22H,4-7,10,13-19,23H2,1-3H3,(H,29,31)/b9-8+,12-11+