[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-phenylazanyl-ethyl] (Z)-octadec-9-enoate

Systemtic Name: [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-phenylazanyl-ethyl] (Z)-octadec-9-enoate Openeye Name: [2-anilino-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-anilino-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]ethyl] ester IUPAC Name: [2-anilino-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-anilino-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] ester Formula: C44H73NO4 MolecularWeight: 680.05472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(NC1=CC=CC=C1)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(NC1=CC=CC=C1)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C44H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-43(46)48-40-42(45-41-36-32-31-33-37-41)49-44(47)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,31-33,36-37,42,45H,3-11,13,15-16,21-30,34-35,38-40H2,1-2H3/b14-12-,19-17-,20-18-