6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-cyanoethyl(methyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)C1CC=CCC1C(=O)O

InChI

InChI=1S/C12H16N2O3/c1-14(8-4-7-13)11(15)9-5-2-3-6-10(9)12(16)17/h2-3,9-10H,4-6,8H2,1H3,(H,16,17)