6-butoxy-2-methyl-3-(2-phenylpropan-2-yl)benzoic acid

Systemtic Name: 6-butoxy-2-methyl-3-(2-phenylpropan-2-yl)benzoic acid Openeye Name: 6-butoxy-2-methyl-3-(1-methyl-1-phenyl-ethyl)benzoic acid CAS Name: 6-butoxy-2-methyl-3-(2-phenylpropan-2-yl)benzoic acid IUPAC Name: 6-butoxy-2-methyl-3-(2-phenylpropan-2-yl)benzoic acid Traditional Name: 6-butoxy-3-cumyl-2-methyl-benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)C(C)(C)C2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)C(C)(C)C2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C21H26O3/c1-5-6-14-24-18-13-12-17(15(2)19(18)20(22)23)21(3,4)16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3,(H,22,23)