4-methyl-2-(4-phenylbutanoyloxy)pentanoic acid

Systemtic Name: 4-methyl-2-(4-phenylbutanoyloxy)pentanoic acid Openeye Name: 4-methyl-2-(4-phenylbutanoyloxy)pentanoic acid CAS Name: 4-methyl-2-(1-oxo-4-phenylbutoxy)pentanoic acid IUPAC Name: 4-methyl-2-(4-phenylbutanoyloxy)pentanoic acid Traditional Name: 4-methyl-2-(4-phenylbutanoyloxy)valeric acid Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)OC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)OC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C16H22O4/c1-12(2)11-14(16(18)19)20-15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,19)