2-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanoic acid Openeye Name: 2-[3-ethyl-4-methoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]acetic acid CAS Name: 2-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetic acid IUPAC Name: 2-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetic acid Traditional Name: 2-[3-ethyl-4-methoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]acetic acid Formula: C19H30O3 MolecularWeight: 306.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3/c1-8-14-9-13(11-16(20)21)10-15(17(14)22-7)19(5,6)12-18(2,3)4/h9-10H,8,11-12H2,1-7H3,(H,20,21)