3-methylidene-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-(phenylmethyl)butanedioic acid

Systemtic Name: 3-methylidene-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-(phenylmethyl)butanedioic acid Openeye Name: 2-benzyl-3-methylene-2-[2-oxo-2-(p-tolyl)ethyl]butanedioic acid CAS Name: 3-methylene-2-[2-(4-methylphenyl)-2-oxoethyl]-2-(phenylmethyl)butanedioic acid IUPAC Name: 2-benzyl-3-methylidene-2-[2-(4-methylphenyl)-2-oxoethyl]butanedioic acid Traditional Name: 2-benzyl-2-[2-keto-2-(p-tolyl)ethyl]-3-methylene-succinic acid Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(CC2=CC=CC=C2)(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(CC2=CC=CC=C2)(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20O5/c1-14-8-10-17(11-9-14)18(22)13-21(20(25)26,15(2)19(23)24)12-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,23,24)(H,25,26)