[(2S,3R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-oxidanyl-octan-3-yl] 3-methylbutanoate

Systemtic Name: [(2S,3R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-oxidanyl-octan-3-yl] 3-methylbutanoate Openeye Name: [(1R)-2-(4,5-diphenyloxazol-2-yl)-1-[(1S)-1-hydroxyethyl]hexyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2S,3R)-4-(4,5-diphenyl-2-oxazolyl)-2-hydroxyoctan-3-yl] ester IUPAC Name: [(2S,3R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-hydroxyoctan-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(1R)-2-(4,5-diphenyloxazol-2-yl)-1-[(1S)-1-hydroxyethyl]hexyl] ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(C(C)O)OC(=O)CC(C)C

Isomeric SMILES

CCCCC(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)[C@H]([C@H](C)O)OC(=O)CC(C)C

InChI

InChI=1S/C28H35NO4/c1-5-6-17-23(26(20(4)30)32-24(31)18-19(2)3)28-29-25(21-13-9-7-10-14-21)27(33-28)22-15-11-8-12-16-22/h7-16,19-20,23,26,30H,5-6,17-18H2,1-4H3/t20-,23?,26-/m0/s1