2-methyl-5-[(2-oxidanylideneazepan-1-yl)methyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(2-oxidanylideneazepan-1-yl)methyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(2-oxoazepan-1-yl)methyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[(2-oxo-1-azepanyl)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(2-oxoazepan-1-yl)methyl]furan-3-carboxylic acid Traditional Name: 5-[(2-ketoazepan-1-yl)methyl]-2-methyl-3-furoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCCCCC2=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2CCCCCC2=O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-9-11(13(16)17)7-10(18-9)8-14-6-4-2-3-5-12(14)15/h7H,2-6,8H2,1H3,(H,16,17)