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

Systemtic Name: tert-butyl (2S,3S,4R)-2-methyl-4-oxidanyl-4-phenyl-1-(phenylmethyl)-2,3-dihydroquinoline-3-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-1-benzyl-4-hydroxy-2-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate CAS Name: (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-1-(phenylmethyl)-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-1-benzyl-4-hydroxy-2-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylate Traditional Name: (2S,3S,4R)-1-benzyl-4-hydroxy-2-methyl-4-phenyl-2,3-dihydroquinoline-3-carboxylic acid tert-butyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=CC=CC=C2N1CC3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@](C2=CC=CC=C2N1CC3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H31NO3/c1-20-25(26(30)32-27(2,3)4)28(31,22-15-9-6-10-16-22)23-17-11-12-18-24(23)29(20)19-21-13-7-5-8-14-21/h5-18,20,25,31H,19H2,1-4H3/t20-,25+,28+/m0/s1