tert-butyl (2S,4R,7R)-2,7-dimethyl-5-oxidanylidene-4-(phenylmethyl)oxepane-4-carboxylate

Systemtic Name: tert-butyl (2S,4R,7R)-2,7-dimethyl-5-oxidanylidene-4-(phenylmethyl)oxepane-4-carboxylate Openeye Name: tert-butyl (2S,4R,7R)-4-benzyl-2,7-dimethyl-5-oxo-oxepane-4-carboxylate CAS Name: (2S,4R,7R)-2,7-dimethyl-5-oxo-4-(phenylmethyl)-4-oxepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R,7R)-4-benzyl-2,7-dimethyl-5-oxooxepane-4-carboxylate Traditional Name: (2S,4R,7R)-4-benzyl-5-keto-2,7-dimethyl-oxepane-4-carboxylic acid tert-butyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(CC(O1)C)(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CC(=O)[C@](C[C@@H](O1)C)(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28O4/c1-14-11-17(21)20(12-15(2)23-14,18(22)24-19(3,4)5)13-16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+,20+/m1/s1