4-[[4-ethanoyl-2-(2-methylpropyl)-3-oxidanyl-phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-ethanoyl-2-(2-methylpropyl)-3-oxidanyl-phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-isobutyl-phenoxy)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-acetyl-3-hydroxy-2-(2-methylpropyl)phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-acetyl-3-hydroxy-2-(2-methylpropyl)phenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-isobutyl-phenoxy)methyl]-3-methoxy-benzoic acid Formula: C21H24O6 MolecularWeight: 372.41166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C21H24O6/c1-12(2)9-17-18(8-7-16(13(3)22)20(17)23)27-11-15-6-5-14(21(24)25)10-19(15)26-4/h5-8,10,12,23H,9,11H2,1-4H3,(H,24,25)