6-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1CC=CCC1C(=O)O

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1CC=CCC1C(=O)O

InChI

InChI=1S/C13H20N2O4/c1-8(2)15-11(16)7-14-12(17)9-5-3-4-6-10(9)13(18)19/h3-4,8-10H,5-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)