5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furoic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H18N2O3/c1-13-5-2-6-14(8-7-13)9-10-3-4-11(17-10)12(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)