(1-methylcyclopentyl) (3R,5S,6R)-3,5,7-trimethyl-6-(phenylmethoxymethoxy)octanoate

Systemtic Name: (1-methylcyclopentyl) (3R,5S,6R)-3,5,7-trimethyl-6-(phenylmethoxymethoxy)octanoate Openeye Name: (1-methylcyclopentyl) (3R,5S,6R)-6-(benzyloxymethoxy)-3,5,7-trimethyl-octanoate CAS Name: (3R,5S,6R)-3,5,7-trimethyl-6-(phenylmethoxymethoxy)octanoic acid (1-methylcyclopentyl) ester IUPAC Name: (1-methylcyclopentyl) (3R,5S,6R)-3,5,7-trimethyl-6-(phenylmethoxymethoxy)octanoate Traditional Name: (3R,5S,6R)-6-(benzoxymethoxy)-3,5,7-trimethyl-caprylic acid (1-methylcyclopentyl) ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CC(C)CC(=O)OC1(CCCC1)C)OCOCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C[C@H](C)[C@@H](C(C)C)OCOCC1=CC=CC=C1)CC(=O)OC2(CCCC2)C

InChI

InChI=1S/C25H40O4/c1-19(2)24(28-18-27-17-22-11-7-6-8-12-22)21(4)15-20(3)16-23(26)29-25(5)13-9-10-14-25/h6-8,11-12,19-21,24H,9-10,13-18H2,1-5H3/t20-,21+,24-/m1/s1