[2-oxidanyl-4-[2-(propan-2-ylamino)ethanoyl]phenyl] (10E,13E)-octadeca-10,13-dienoate

Systemtic Name: [2-oxidanyl-4-[2-(propan-2-ylamino)ethanoyl]phenyl] (10E,13E)-octadeca-10,13-dienoate Openeye Name: [2-hydroxy-4-[2-(isopropylamino)acetyl]phenyl] (10E,13E)-octadeca-10,13-dienoate CAS Name: (10E,13E)-octadeca-10,13-dienoic acid [2-hydroxy-4-[1-oxo-2-(propan-2-ylamino)ethyl]phenyl] ester IUPAC Name: [2-hydroxy-4-[2-(propan-2-ylamino)acetyl]phenyl] (10E,13E)-octadeca-10,13-dienoate Traditional Name: (10E,13E)-octadeca-10,13-dienoic acid [2-hydroxy-4-[2-(isopropylamino)acetyl]phenyl] ester Formula: C29H45NO4 MolecularWeight: 471.6719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCC=CCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)O

Isomeric SMILES

CCCC/C=C/C/C=C/CCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)O

InChI

InChI=1S/C29H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(33)34-28-21-20-25(22-26(28)31)27(32)23-30-24(2)3/h7-8,10-11,20-22,24,30-31H,4-6,9,12-19,23H2,1-3H3/b8-7+,11-10+