methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxy-heptanoate

Systemtic Name: methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxy-heptanoate Openeye Name: methyl (3R,4S,6S)-7-benzyloxy-3,4,6-trimethyl-heptanoate CAS Name: (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoic acid methyl ester IUPAC Name: methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate Traditional Name: (3R,4S,6S)-7-benzoxy-3,4,6-trimethyl-enanthic acid methyl ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(C)CC(=O)OC)COCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C[C@H](C)[C@H](C)CC(=O)OC)COCC1=CC=CC=C1

InChI

InChI=1S/C18H28O3/c1-14(10-15(2)16(3)11-18(19)20-4)12-21-13-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3/t14-,15-,16+/m0/s1