3-[2-(2-carboxyethyl)-6-[(3,4-dicyclopentyloxyphenyl)methoxy]phenyl]benzoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dicyclopentyloxyphenyl)methoxy]phenyl]benzoic acid Openeye Name: 3-[2-[[3,4-bis(cyclopentoxy)phenyl]methoxy]-6-(2-carboxyethyl)phenyl]benzoic acid CAS Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dicyclopentyloxyphenyl)methoxy]phenyl]benzoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-6-[(3,4-dicyclopentyloxyphenyl)methoxy]phenyl]benzoic acid Traditional Name: 3-[2-[3,4-bis(cyclopentoxy)benzyl]oxy-6-(2-carboxyethyl)phenyl]benzoic acid Formula: C33H36O7 MolecularWeight: 544.63474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)COC3=CC=CC(=C3C4=CC(=CC=C4)C(=O)O)CCC(=O)O)OC5CCCC5

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)COC3=CC=CC(=C3C4=CC(=CC=C4)C(=O)O)CCC(=O)O)OC5CCCC5

InChI

InChI=1S/C33H36O7/c34-31(35)18-16-23-7-6-14-29(32(23)24-8-5-9-25(20-24)33(36)37)38-21-22-15-17-28(39-26-10-1-2-11-26)30(19-22)40-27-12-3-4-13-27/h5-9,14-15,17,19-20,26-27H,1-4,10-13,16,18,21H2,(H,34,35)(H,36,37)