4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-(3-methylbutanoylamino)cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[(3-methyl-1-oxobutyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid Traditional Name: 1-(isovalerylamino)-4-methyl-cyclohexanecarboxylic acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CC(C)C

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CC(C)C

InChI

InChI=1S/C13H23NO3/c1-9(2)8-11(15)14-13(12(16)17)6-4-10(3)5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)