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

Systemtic Name: 3-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Openeye Name: 3-[3-ethyl-4-methoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]propanoic acid CAS Name: 3-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[3-ethyl-4-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-ethyl-4-methoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid Formula: C20H32O3 MolecularWeight: 320.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O3/c1-8-15-11-14(9-10-17(21)22)12-16(18(15)23-7)20(5,6)13-19(2,3)4/h11-12H,8-10,13H2,1-7H3,(H,21,22)