methyl 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylate CAS Name: 5-(1,4-diazepan-1-ylmethyl)-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-(1,4-diazepan-1-ylmethyl)furan-2-carboxylic acid methyl ester Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCNCC2

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCNCC2

InChI

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