4-tert-butyl-1-[2-(2,4-dimethylphenyl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-tert-butyl-1-[2-(2,4-dimethylphenyl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-tert-butyl-1-[[2-(2,4-dimethylphenyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-tert-butyl-1-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-tert-butyl-1-[[2-(2,4-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-tert-butyl-1-[[2-(2,4-dimethylphenyl)acetyl]amino]cyclohexanecarboxylic acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-14-6-7-16(15(2)12-14)13-18(23)22-21(19(24)25)10-8-17(9-11-21)20(3,4)5/h6-7,12,17H,8-11,13H2,1-5H3,(H,22,23)(H,24,25)