2-[3-[2-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]ethynyl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[2-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]ethynyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[3-[2-[4-(2-methoxy-2-oxo-ethyl)phenyl]ethynyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[3-[2-[4-(2-methoxy-2-oxoethyl)phenyl]ethynyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[3-[2-[4-(2-methoxy-2-oxoethyl)phenyl]ethynyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[3-[2-[4-(2-keto-2-methoxy-ethyl)phenyl]ethynyl]phenyl]-2-methyl-propionic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)OC)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)OC)C(=O)O

InChI

InChI=1S/C21H20O4/c1-21(2,20(23)24)18-6-4-5-16(13-18)10-7-15-8-11-17(12-9-15)14-19(22)25-3/h4-6,8-9,11-13H,14H2,1-3H3,(H,23,24)