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

Systemtic Name: methyl 4-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3CCCO3

InChI

InChI=1S/C19H28N2O3/c1-23-19(22)17-7-5-16(6-8-17)14-20-9-3-10-21(12-11-20)15-18-4-2-13-24-18/h5-8,18H,2-4,9-15H2,1H3