5-[4-(3-cyclohexylpropoxymethyl)-2-methyl-phenyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-(3-cyclohexylpropoxymethyl)-2-methyl-phenyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(3-cyclohexylpropoxymethyl)-2-methyl-phenyl]benzofuran-2-carboxylic acid CAS Name: 5-[4-(3-cyclohexylpropoxymethyl)-2-methylphenyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(3-cyclohexylpropoxymethyl)-2-methylphenyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3-cyclohexylpropoxymethyl)-2-methyl-phenyl]coumarilic acid Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COCCCC2CCCCC2)C3=CC4=C(C=C3)OC(=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)COCCCC2CCCCC2)C3=CC4=C(C=C3)OC(=C4)C(=O)O

InChI

InChI=1S/C26H30O4/c1-18-14-20(17-29-13-5-8-19-6-3-2-4-7-19)9-11-23(18)21-10-12-24-22(15-21)16-25(30-24)26(27)28/h9-12,14-16,19H,2-8,13,17H2,1H3,(H,27,28)