[(Z,7R)-18-oxidanylidene-18-(prop-2-enylamino)octadec-9-en-7-yl] 2-phenylethanoate

Systemtic Name: [(Z,7R)-18-oxidanylidene-18-(prop-2-enylamino)octadec-9-en-7-yl] 2-phenylethanoate Openeye Name: [(Z,1R)-12-(allylamino)-1-hexyl-12-oxo-dodec-3-enyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(Z,7R)-18-oxo-18-(prop-2-enylamino)octadec-9-en-7-yl] ester IUPAC Name: [(Z,7R)-18-oxo-18-(prop-2-enylamino)octadec-9-en-7-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(Z,1R)-12-(allylamino)-1-hexyl-12-keto-dodec-3-enyl] ester Formula: C29H45NO3 MolecularWeight: 455.6725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCC=C)OC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCC=C)OC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C29H45NO3/c1-3-5-6-16-21-27(33-29(32)25-26-19-14-13-15-20-26)22-17-11-9-7-8-10-12-18-23-28(31)30-24-4-2/h4,11,13-15,17,19-20,27H,2-3,5-10,12,16,18,21-25H2,1H3,(H,30,31)/b17-11-/t27-/m1/s1