methyl 5-(1,4-diazepan-1-ylmethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-(1,4-diazepan-1-ylmethyl)-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-(1,4-diazepan-1-ylmethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(1,4-diazepan-1-ylmethyl)-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carboxylate Traditional Name: 5-(1,4-diazepan-1-ylmethyl)-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCCNCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2CCCNCC2)C(=O)OC

InChI

InChI=1S/C13H20N2O3/c1-10-12(13(16)17-2)8-11(18-10)9-15-6-3-4-14-5-7-15/h8,14H,3-7,9H2,1-2H3