2-methyl-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]cyclohex-2-ene-1-carboxylic acid Openeye Name: 3-[(4-benzyloxyphenyl)methyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylic acid CAS Name: 2-methyl-4-oxo-3-[(4-phenylmethoxyphenyl)methyl]-1-cyclohex-2-enecarboxylic acid IUPAC Name: 2-methyl-4-oxo-3-[(4-phenylmethoxyphenyl)methyl]cyclohex-2-ene-1-carboxylic acid Traditional Name: 3-(4-benzoxybenzyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CCC1C(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)CCC1C(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22O4/c1-15-19(22(24)25)11-12-21(23)20(15)13-16-7-9-18(10-8-16)26-14-17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3,(H,24,25)