6-(pentan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(pentan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(1-ethylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-(pentan-3-ylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(pentan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(1-ethylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

CCC(CC)NC(=O)C1CC=CCC1C(=O)O

InChI

InChI=1S/C13H21NO3/c1-3-9(4-2)14-12(15)10-7-5-6-8-11(10)13(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)