6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid Openeye Name: 6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid CAS Name: 6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid Traditional Name: 6-[2-[[2-(2-carboxyethyl)phenoxy]methyl]cyclohexyl]-2-naphthoic acid Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)COC2=CC=CC=C2CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)COC2=CC=CC=C2CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C27H28O5/c28-26(29)14-13-18-5-2-4-8-25(18)32-17-23-6-1-3-7-24(23)21-11-9-20-16-22(27(30)31)12-10-19(20)15-21/h2,4-5,8-12,15-16,23-24H,1,3,6-7,13-14,17H2,(H,28,29)(H,30,31)