methyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]benzoate Openeye Name: methyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C20H28N2O3/c1-25-20(24)18-9-7-16(8-10-18)15-21-11-4-12-22(14-13-21)19(23)17-5-2-3-6-17/h7-10,17H,2-6,11-15H2,1H3