3-[3-(2-carboxyethyl)-4-phenethyloxy-phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-phenethyloxy-phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-phenethyloxy-benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-phenethyloxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-phenethyloxybenzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-phenethyloxy-benzoyl]benzoic acid Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C25H22O6/c26-23(27)12-10-18-15-20(24(28)19-7-4-8-21(16-19)25(29)30)9-11-22(18)31-14-13-17-5-2-1-3-6-17/h1-9,11,15-16H,10,12-14H2,(H,26,27)(H,29,30)