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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(3-phenylpropoxy)phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-(3-phenylpropoxy)benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-(3-phenylpropoxy)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(3-phenylpropoxy)benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-(3-phenylpropoxy)benzoyl]benzoic acid Formula: C26H24O6 MolecularWeight: 432.46516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C26H24O6/c27-24(28)14-12-19-16-21(25(29)20-9-4-10-22(17-20)26(30)31)11-13-23(19)32-15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-11,13,16-17H,5,8,12,14-15H2,(H,27,28)(H,30,31)