tert-butyl (4R,5S)-4-heptyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate

Systemtic Name: tert-butyl (4R,5S)-4-heptyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate Openeye Name: tert-butyl (4R,5S)-4-heptyl-2-phenyl-4,5-dihydrooxazole-5-carboxylate CAS Name: (4R,5S)-4-heptyl-2-phenyl-4,5-dihydrooxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5S)-4-heptyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate Traditional Name: (4R,5S)-4-heptyl-2-phenyl-2-oxazoline-5-carboxylic acid tert-butyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(OC(=N1)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC[C@@H]1[C@H](OC(=N1)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO3/c1-5-6-7-8-12-15-17-18(20(23)25-21(2,3)4)24-19(22-17)16-13-10-9-11-14-16/h9-11,13-14,17-18H,5-8,12,15H2,1-4H3/t17-,18+/m1/s1