2-ethoxycarbonyl-6-(2-pyrazol-1-ylethanoylamino)hexanoic acid

Systemtic Name: 2-ethoxycarbonyl-6-(2-pyrazol-1-ylethanoylamino)hexanoic acid Openeye Name: 2-ethoxycarbonyl-6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid CAS Name: 2-ethoxycarbonyl-6-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]hexanoic acid IUPAC Name: 2-ethoxycarbonyl-6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid Traditional Name: 2-carbethoxy-6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNC(=O)CN1C=CC=N1)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCNC(=O)CN1C=CC=N1)C(=O)O

InChI

InChI=1S/C14H21N3O5/c1-2-22-14(21)11(13(19)20)6-3-4-7-15-12(18)10-17-9-5-8-16-17/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,15,18)(H,19,20)