3-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(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=C(OC=C2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=C(OC=C2)C(=O)O

InChI

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