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

Systemtic Name: [(Z,7R)-18-(cyclopropylamino)-18-oxidanylidene-octadec-9-en-7-yl] 2-phenylethanoate Openeye Name: [(Z,1R)-12-(cyclopropylamino)-1-hexyl-12-oxo-dodec-3-enyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(Z,7R)-18-(cyclopropylamino)-18-oxooctadec-9-en-7-yl] ester IUPAC Name: [(Z,7R)-18-(cyclopropylamino)-18-oxooctadec-9-en-7-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(Z,1R)-12-(cyclopropylamino)-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)NC1CC1)OC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NC1CC1)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C29H45NO3/c1-2-3-4-14-19-27(33-29(32)24-25-17-12-11-13-18-25)20-15-9-7-5-6-8-10-16-21-28(31)30-26-22-23-26/h9,11-13,15,17-18,26-27H,2-8,10,14,16,19-24H2,1H3,(H,30,31)/b15-9-/t27-/m1/s1