3-[4-methoxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-methoxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-methoxy-3-(1,1,3,3-tetramethylbutyl)phenyl]propanoic acid CAS Name: 3-[4-methoxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-methoxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-methoxy-3-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3/c1-17(2,3)12-18(4,5)14-11-13(8-10-16(19)20)7-9-15(14)21-6/h7,9,11H,8,10,12H2,1-6H3,(H,19,20)