(E)-3-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]acrylic acid Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=C2)C=CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=C2)/C=C/C(=O)O

InChI

InChI=1S/C21H22O5/c1-3-5-18-19(10-9-17(14(2)22)21(18)25)26-13-16-7-4-6-15(12-16)8-11-20(23)24/h4,6-12,25H,3,5,13H2,1-2H3,(H,23,24)/b11-8+