3-(octylcarbamoyl)oxirane-2-carboxylic acid

Systemtic Name: 3-(octylcarbamoyl)oxirane-2-carboxylic acid Openeye Name: 3-(octylcarbamoyl)oxirane-2-carboxylic acid CAS Name: 3-[(octylamino)-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-(octylcarbamoyl)oxirane-2-carboxylic acid Traditional Name: 3-(octylcarbamoyl)oxirane-2-carboxylic acid Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)C1C(O1)C(=O)O

InChI

InChI=1S/C12H21NO4/c1-2-3-4-5-6-7-8-13-11(14)9-10(17-9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)