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

Systemtic Name: tert-butyl (3S,4R)-1-methyl-4-oxidanyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate Openeye Name: tert-butyl (3S,4R)-4-hydroxy-1-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate CAS Name: (3S,4R)-4-hydroxy-1-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-hydroxy-1-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate Traditional Name: (3S,4R)-4-hydroxy-1-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(C2=CC=CC=C2C1(C3=CC=CC=C3)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-20(2,3)25-19(23)17-14-22(4)18-13-9-8-12-16(18)21(17,24)15-10-6-5-7-11-15/h5-13,17,24H,14H2,1-4H3/t17-,21-/m1/s1