methyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(2-furylmethyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 2-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-(2-furfuryl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24N2O3/c1-23-19(22)18-8-3-2-6-16(18)14-20-9-5-10-21(12-11-20)15-17-7-4-13-24-17/h2-4,6-8,13H,5,9-12,14-15H2,1H3