4-acetamido-5-[2,3-bis(oxidanyl)propyl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-acetamido-5-[2,3-bis(oxidanyl)propyl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-acetamido-5-(2,3-dihydroxypropyl)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: 4-acetamido-5-(2,3-dihydroxypropyl)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-acetamido-5-(2,3-dihydroxypropyl)-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-acetamido-3-(1-ethylpropoxy)-5-glyceryl-cyclohexene-1-carboxylic acid Formula: C17H29NO6 MolecularWeight: 343.41526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO6/c1-4-14(5-2)24-15-8-12(17(22)23)6-11(7-13(21)9-19)16(15)18-10(3)20/h8,11,13-16,19,21H,4-7,9H2,1-3H3,(H,18,20)(H,22,23)