[2-oxidanylidene-2-(phenethylamino)ethyl] (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoate CAS Name: (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoate Traditional Name: (9E,12E,15E)-18-phenyloctadeca-9,12,15-trienoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C34H45NO3 MolecularWeight: 515.726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=CCC=CCC=CCCCCCCCC(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C34H45NO3/c36-33(35-29-28-32-25-19-15-20-26-32)30-38-34(37)27-21-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22-31-23-17-14-18-24-31/h1,3-4,6,10,12,14-15,17-20,23-26H,2,5,7-9,11,13,16,21-22,27-30H2,(H,35,36)/b3-1+,6-4+,12-10+