5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylic acid Openeye Name: 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylic acid CAS Name: 5-(1,4-diazepan-1-ylmethyl)-2-furancarboxylic acid IUPAC Name: 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylic acid Traditional Name: 5-(1,4-diazepan-1-ylmethyl)-2-furoic acid Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1CNCCN(C1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H16N2O3/c14-11(15)10-3-2-9(16-10)8-13-6-1-4-12-5-7-13/h2-3,12H,1,4-8H2,(H,14,15)