2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]propanedioic acid

Systemtic Name: 2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]propanedioic acid Openeye Name: 2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]propanedioic acid CAS Name: 2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]propanedioic acid IUPAC Name: 2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]propanedioic acid Traditional Name: 2-methyl-2-[2-[4-(4-phenylbutoxy)phenyl]ethyl]malonic acid Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H26O5/c1-22(20(23)24,21(25)26)15-14-18-10-12-19(13-11-18)27-16-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3,(H,23,24)(H,25,26)