4-acetamido-5-(oxiran-2-ylmethyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-acetamido-5-(oxiran-2-ylmethyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-acetamido-3-(1-ethylpropoxy)-5-(oxiran-2-ylmethyl)cyclohexene-1-carboxylic acid CAS Name: 4-acetamido-5-(2-oxiranylmethyl)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-acetamido-5-(oxiran-2-ylmethyl)-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-acetamido-3-(1-ethylpropoxy)-5-glycidyl-cyclohexene-1-carboxylic acid Formula: C17H27NO5 MolecularWeight: 325.39998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)CC2CO2)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1NC(=O)C)CC2CO2)C(=O)O

InChI

InChI=1S/C17H27NO5/c1-4-13(5-2)23-15-8-12(17(20)21)6-11(7-14-9-22-14)16(15)18-10(3)19/h8,11,13-16H,4-7,9H2,1-3H3,(H,18,19)(H,20,21)