4-(azepan-1-ylmethyl)-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylmethyl)-5-methyl-furan-2-carboxylic acid Openeye Name: 4-(azepan-1-ylmethyl)-5-methyl-furan-2-carboxylic acid CAS Name: 4-(1-azepanylmethyl)-5-methyl-2-furancarboxylic acid IUPAC Name: 4-(azepan-1-ylmethyl)-5-methylfuran-2-carboxylic acid Traditional Name: 4-(azepan-1-ylmethyl)-5-methyl-2-furoic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-10-11(8-12(17-10)13(15)16)9-14-6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16)