4-propan-2-yl-1-[2-(2,4,6-trimethylphenyl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-propan-2-yl-1-[2-(2,4,6-trimethylphenyl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-isopropyl-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-4-propan-2-yl-1-cyclohexanecarboxylic acid IUPAC Name: 4-propan-2-yl-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-isopropyl-1-[(2-mesitylacetyl)amino]cyclohexanecarboxylic acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-13(2)17-6-8-21(9-7-17,20(24)25)22-19(23)12-18-15(4)10-14(3)11-16(18)5/h10-11,13,17H,6-9,12H2,1-5H3,(H,22,23)(H,24,25)