tert-butyl (3S,5R,6S)-3,5-dimethyl-6-(phenylmethoxymethoxy)heptanoate

Systemtic Name: tert-butyl (3S,5R,6S)-3,5-dimethyl-6-(phenylmethoxymethoxy)heptanoate Openeye Name: tert-butyl (3S,5R,6S)-6-(benzyloxymethoxy)-3,5-dimethyl-heptanoate CAS Name: (3S,5R,6S)-3,5-dimethyl-6-(phenylmethoxymethoxy)heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,5R,6S)-3,5-dimethyl-6-(phenylmethoxymethoxy)heptanoate Traditional Name: (3S,5R,6S)-6-(benzoxymethoxy)-3,5-dimethyl-enanthic acid tert-butyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(C)OCOCC1=CC=CC=C1)CC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C[C@@H](C)[C@H](C)OCOCC1=CC=CC=C1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34O4/c1-16(13-20(22)25-21(4,5)6)12-17(2)18(3)24-15-23-14-19-10-8-7-9-11-19/h7-11,16-18H,12-15H2,1-6H3/t16-,17+,18-/m0/s1