3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoic acid

Systemtic Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoic acid Openeye Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoic acid CAS Name: 5-(4-tert-butylphenyl)-2-ethyl-3-(1-oxobutoxy)pentanoic acid IUPAC Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethylpentanoic acid Traditional Name: 5-(4-tert-butylphenyl)-3-butyryloxy-2-ethyl-valeric acid Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CCC1=CC=C(C=C1)C(C)(C)C)C(CC)C(=O)O

Isomeric SMILES

CCCC(=O)OC(CCC1=CC=C(C=C1)C(C)(C)C)C(CC)C(=O)O

InChI

InChI=1S/C21H32O4/c1-6-8-19(22)25-18(17(7-2)20(23)24)14-11-15-9-12-16(13-10-15)21(3,4)5/h9-10,12-13,17-18H,6-8,11,14H2,1-5H3,(H,23,24)