tert-butyl (3S,5S)-3-methyl-5-phenyl-3-[(4-phenylphenyl)methyl]-1,2-oxazolidine-2-carboxylate

Systemtic Name: tert-butyl (3S,5S)-3-methyl-5-phenyl-3-[(4-phenylphenyl)methyl]-1,2-oxazolidine-2-carboxylate Openeye Name: tert-butyl (3S,5S)-3-methyl-5-phenyl-3-[(4-phenylphenyl)methyl]isoxazolidine-2-carboxylate CAS Name: (3S,5S)-3-methyl-5-phenyl-3-[(4-phenylphenyl)methyl]-2-isoxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,5S)-3-methyl-5-phenyl-3-[(4-phenylphenyl)methyl]-1,2-oxazolidine-2-carboxylate Traditional Name: (3S,5S)-3-methyl-5-phenyl-3-(4-phenylbenzyl)isoxazolidine-2-carboxylic acid tert-butyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(ON1C(=O)OC(C)(C)C)C2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@]1(C[C@H](ON1C(=O)OC(C)(C)C)C2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-27(2,3)31-26(30)29-28(4,20-25(32-29)24-13-9-6-10-14-24)19-21-15-17-23(18-16-21)22-11-7-5-8-12-22/h5-18,25H,19-20H2,1-4H3/t25-,28-/m0/s1