5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid Openeye Name: 5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid CAS Name: 5-ethyl-4-(1-pyrrolidinylmethyl)-2-furancarboxylic acid IUPAC Name: 5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid Traditional Name: 5-ethyl-4-(pyrrolidinomethyl)-2-furoic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(O1)C(=O)O)CN2CCCC2

Isomeric SMILES

CCC1=C(C=C(O1)C(=O)O)CN2CCCC2

InChI

InChI=1S/C12H17NO3/c1-2-10-9(7-11(16-10)12(14)15)8-13-5-3-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)