3-(butylamino)-5-oxidanylidene-4-propanoyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3-(butylamino)-5-oxidanylidene-4-propanoyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 3-(butylamino)-5-oxo-4-propanoyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 3-(butylamino)-5-oxo-4-(1-oxopropyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3-(butylamino)-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid Traditional Name: 3-(butylamino)-5-keto-4-propionyl-cyclohex-3-ene-1-carboxylic acid Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)CC(C1)C(=O)O)C(=O)CC

Isomeric SMILES

CCCCNC1=C(C(=O)CC(C1)C(=O)O)C(=O)CC

InChI

InChI=1S/C14H21NO4/c1-3-5-6-15-10-7-9(14(18)19)8-12(17)13(10)11(16)4-2/h9,15H,3-8H2,1-2H3,(H,18,19)