tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate

Systemtic Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate Openeye Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-oxazole-4-carboxylate CAS Name: (4S)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-oxazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(4-cyanophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate Traditional Name: (4S)-4-(4-cyanobenzyl)-2-phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(COC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[C@@]1(COC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O3/c1-21(2,3)27-20(25)22(13-16-9-11-17(14-23)12-10-16)15-26-19(24-22)18-7-5-4-6-8-18/h4-12H,13,15H2,1-3H3/t22-/m0/s1