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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(4-phenylbutoxy)phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-(4-phenylbutoxy)benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-(4-phenylbutoxy)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(4-phenylbutoxy)benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-(4-phenylbutoxy)benzoyl]benzoic acid Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C27H26O6/c28-25(29)15-13-20-17-22(26(30)21-10-6-11-23(18-21)27(31)32)12-14-24(20)33-16-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-12,14,17-18H,4-5,9,13,15-16H2,(H,28,29)(H,31,32)