(3S,5R)-5-methyl-3-phenylmethoxy-heptanoic acid

Systemtic Name: (3S,5R)-5-methyl-3-phenylmethoxy-heptanoic acid Openeye Name: (3S,5R)-3-benzyloxy-5-methyl-heptanoic acid CAS Name: (3S,5R)-5-methyl-3-phenylmethoxyheptanoic acid IUPAC Name: (3S,5R)-5-methyl-3-phenylmethoxyheptanoic acid Traditional Name: (3S,5R)-3-benzoxy-5-methyl-enanthic acid Formula: C15H22O3 MolecularWeight: 250.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C)C[C@@H](CC(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H22O3/c1-3-12(2)9-14(10-15(16)17)18-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,17)/t12-,14+/m1/s1