2-acetamido-3-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-cyclohexyl)oxy-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-cyclohexyl)oxy-phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(4-hydroxy-3-isopropyl-cyclohexoxy)-3,5-dimethyl-phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(4-hydroxy-3-propan-2-ylcyclohexyl)oxy-3,5-dimethylphenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(4-hydroxy-3-propan-2-ylcyclohexyl)oxy-3,5-dimethylphenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(4-hydroxy-3-isopropyl-cyclohexoxy)-3,5-dimethyl-phenyl]propionic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCC(C(C2)C(C)C)O)C)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCC(C(C2)C(C)C)O)C)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C22H33NO5/c1-12(2)18-11-17(6-7-20(18)25)28-21-13(3)8-16(9-14(21)4)10-19(22(26)27)23-15(5)24/h8-9,12,17-20,25H,6-7,10-11H2,1-5H3,(H,23,24)(H,26,27)