tert-butyl (2S,3S,4R)-1,2-dimethyl-4-oxidanyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R)-1,2-dimethyl-4-oxidanyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-4-hydroxy-1,2-dimethyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate CAS Name: (2S,3S,4R)-4-hydroxy-1,2-dimethyl-4-phenyl-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-4-hydroxy-1,2-dimethyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate Traditional Name: (2S,3S,4R)-4-hydroxy-1,2-dimethyl-4-phenyl-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=CC=CC=C2N1C)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@](C2=CC=CC=C2N1C)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO3/c1-15-19(20(24)26-21(2,3)4)22(25,16-11-7-6-8-12-16)17-13-9-10-14-18(17)23(15)5/h6-15,19,25H,1-5H3/t15-,19+,22+/m0/s1