(1-methylcyclopentyl) (E,5S,6S)-5,7,7-trimethyl-6-(phenylmethoxymethoxy)oct-2-enoate

Systemtic Name: (1-methylcyclopentyl) (E,5S,6S)-5,7,7-trimethyl-6-(phenylmethoxymethoxy)oct-2-enoate Openeye Name: (1-methylcyclopentyl) (E,5S,6S)-6-(benzyloxymethoxy)-5,7,7-trimethyl-oct-2-enoate CAS Name: (E,5S,6S)-5,7,7-trimethyl-6-(phenylmethoxymethoxy)-2-octenoic acid (1-methylcyclopentyl) ester IUPAC Name: (1-methylcyclopentyl) (E,5S,6S)-5,7,7-trimethyl-6-(phenylmethoxymethoxy)oct-2-enoate Traditional Name: (E,5S,6S)-6-(benzoxymethoxy)-5,7,7-trimethyl-oct-2-enoic acid (1-methylcyclopentyl) ester Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C/C=C/C(=O)OC1(CCCC1)C)[C@@H](C(C)(C)C)OCOCC2=CC=CC=C2

InChI

InChI=1S/C25H38O4/c1-20(12-11-15-22(26)29-25(5)16-9-10-17-25)23(24(2,3)4)28-19-27-18-21-13-7-6-8-14-21/h6-8,11,13-15,20,23H,9-10,12,16-19H2,1-5H3/b15-11+/t20-,23-/m0/s1