methyl 3-(1,4-diazepan-1-ylmethyl)benzoate

Systemtic Name: methyl 3-(1,4-diazepan-1-ylmethyl)benzoate Openeye Name: methyl 3-(1,4-diazepan-1-ylmethyl)benzoate CAS Name: 3-(1,4-diazepan-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1,4-diazepan-1-ylmethyl)benzoate Traditional Name: 3-(1,4-diazepan-1-ylmethyl)benzoic acid methyl ester Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-18-14(17)13-5-2-4-12(10-13)11-16-8-3-6-15-7-9-16/h2,4-5,10,15H,3,6-9,11H2,1H3