4-[[2-(2-carboxyethyl)-4-(4-cyclopentyloxy-2-oxidanyl-phenyl)carbonyl-phenoxy]methyl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[[2-(2-carboxyethyl)-4-(4-cyclopentyloxy-2-oxidanyl-phenyl)carbonyl-phenoxy]methyl]-3-oxidanyl-benzoic acid Openeye Name: 4-[[2-(2-carboxyethyl)-4-[4-(cyclopentoxy)-2-hydroxy-benzoyl]phenoxy]methyl]-3-hydroxy-benzoic acid CAS Name: 4-[[2-(2-carboxyethyl)-4-[(4-cyclopentyloxy-2-hydroxyphenyl)-oxomethyl]phenoxy]methyl]-3-hydroxybenzoic acid IUPAC Name: 4-[[2-(2-carboxyethyl)-4-(4-cyclopentyloxy-2-hydroxybenzoyl)phenoxy]methyl]-3-hydroxybenzoic acid Traditional Name: 4-[[2-(2-carboxyethyl)-4-[4-(cyclopentoxy)-2-hydroxy-benzoyl]phenoxy]methyl]-3-hydroxy-benzoic acid Formula: C29H28O9 MolecularWeight: 520.52722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC(=C(C=C2)C(=O)C3=CC(=C(C=C3)OCC4=C(C=C(C=C4)C(=O)O)O)CCC(=O)O)O

Isomeric SMILES

C1CCC(C1)OC2=CC(=C(C=C2)C(=O)C3=CC(=C(C=C3)OCC4=C(C=C(C=C4)C(=O)O)O)CCC(=O)O)O

InChI

InChI=1S/C29H28O9/c30-24-14-19(29(35)36)5-6-20(24)16-37-26-11-7-18(13-17(26)8-12-27(32)33)28(34)23-10-9-22(15-25(23)31)38-21-3-1-2-4-21/h5-7,9-11,13-15,21,30-31H,1-4,8,12,16H2,(H,32,33)(H,35,36)