3-(azocan-1-ylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(azocan-1-ylmethyl)furan-2-carboxylic acid Openeye Name: 3-(azocan-1-ylmethyl)furan-2-carboxylic acid CAS Name: 3-(1-azocanylmethyl)-2-furancarboxylic acid IUPAC Name: 3-(azocan-1-ylmethyl)furan-2-carboxylic acid Traditional Name: 3-(azocan-1-ylmethyl)-2-furoic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)CC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C13H19NO3/c15-13(16)12-11(6-9-17-12)10-14-7-4-2-1-3-5-8-14/h6,9H,1-5,7-8,10H2,(H,15,16)