4-tert-butyl-1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-tert-butyl-1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-tert-butyl-1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 4-tert-butyl-1-[[2-(2-methoxy-4-methylphenyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-tert-butyl-1-[2-(2-methoxy-4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-tert-butyl-1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C(=O)NC2(CCC(CC2)C(C)(C)C)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C(=O)NC2(CCC(CC2)C(C)(C)C)C(=O)O)OC

InChI

InChI=1S/C22H33NO4/c1-14-7-8-17(18(13-14)27-6)15(2)19(24)23-22(20(25)26)11-9-16(10-12-22)21(3,4)5/h7-8,13,15-16H,9-12H2,1-6H3,(H,23,24)(H,25,26)