methyl (2R,3R,5S)-3-fluoranyl-2,6-dimethyl-4-oxidanylidene-5-[(triphenylmethyl)amino]heptanoate

Systemtic Name: methyl (2R,3R,5S)-3-fluoranyl-2,6-dimethyl-4-oxidanylidene-5-[(triphenylmethyl)amino]heptanoate Openeye Name: methyl (2R,3R,5S)-3-fluoro-2,6-dimethyl-4-oxo-5-(tritylamino)heptanoate CAS Name: (2R,3R,5S)-3-fluoro-2,6-dimethyl-4-oxo-5-[(triphenylmethyl)amino]heptanoic acid methyl ester IUPAC Name: methyl (2R,3R,5S)-3-fluoro-2,6-dimethyl-4-oxo-5-(tritylamino)heptanoate Traditional Name: (2R,3R,5S)-3-fluoro-4-keto-2,6-dimethyl-5-(tritylamino)enanthic acid methyl ester Formula: C29H32FNO3 MolecularWeight: 461.567683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(C)C(=O)OC)F)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@H](C(=O)[C@H](C(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)F)C(=O)OC

InChI

InChI=1S/C29H32FNO3/c1-20(2)26(27(32)25(30)21(3)28(33)34-4)31-29(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21,25-26,31H,1-4H3/t21-,25+,26-/m0/s1