[(4S)-1-(diethylamino)-1-oxidanylidene-heptadecan-4-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(4S)-1-(diethylamino)-1-oxidanylidene-heptadecan-4-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-[3-(diethylamino)-3-oxo-propyl]tetradecyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(4S)-1-(diethylamino)-1-oxoheptadecan-4-yl] ester IUPAC Name: [(4S)-1-(diethylamino)-1-oxoheptadecan-4-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-[3-(diethylamino)-3-keto-propyl]tetradecyl] ester Formula: C31H50F3NO4 MolecularWeight: 557.72821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCC(=O)N(CC)CC)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

Isomeric SMILES

CCCCCCCCCCCCC[C@@H](CCC(=O)N(CC)CC)OC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC

InChI

InChI=1S/C31H50F3NO4/c1-5-8-9-10-11-12-13-14-15-16-20-23-27(24-25-28(36)35(6-2)7-3)39-29(37)30(38-4,31(32,33)34)26-21-18-17-19-22-26/h17-19,21-22,27H,5-16,20,23-25H2,1-4H3/t27-,30-/m0/s1