2-[3-(2-carboxyethyl)-4-(2-methylpropoxy)phenyl]carbonyl-3-(2-methylpropoxy)benzoic acid

Systemtic Name: 2-[3-(2-carboxyethyl)-4-(2-methylpropoxy)phenyl]carbonyl-3-(2-methylpropoxy)benzoic acid Openeye Name: 2-[3-(2-carboxyethyl)-4-isobutoxy-benzoyl]-3-isobutoxy-benzoic acid CAS Name: 2-[[3-(2-carboxyethyl)-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-(2-methylpropoxy)benzoic acid IUPAC Name: 2-[3-(2-carboxyethyl)-4-(2-methylpropoxy)benzoyl]-3-(2-methylpropoxy)benzoic acid Traditional Name: 2-[3-(2-carboxyethyl)-4-isobutoxy-benzoyl]-3-isobutoxy-benzoic acid Formula: C25H30O7 MolecularWeight: 442.5015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)C2=C(C=CC=C2OCC(C)C)C(=O)O)CCC(=O)O

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)C2=C(C=CC=C2OCC(C)C)C(=O)O)CCC(=O)O

InChI

InChI=1S/C25H30O7/c1-15(2)13-31-20-10-8-18(12-17(20)9-11-22(26)27)24(28)23-19(25(29)30)6-5-7-21(23)32-14-16(3)4/h5-8,10,12,15-16H,9,11,13-14H2,1-4H3,(H,26,27)(H,29,30)