2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-benzoic acid Openeye Name: 5-benzyloxy-2-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5-phenylmethoxybenzoic acid IUPAC Name: 2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5-phenylmethoxybenzoic acid Traditional Name: 5-benzoxy-2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]benzoic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=C(C=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=C(C=C(C=C1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H22O5/c1-21(2,3)26-19(22)12-10-16-9-11-17(13-18(16)20(23)24)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,23,24)/b12-10+