methyl 2-[[4-(cyclopropylmethyl)-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 2-[[4-(cyclopropylmethyl)-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 2-[4-(cyclopropylmethyl)-5-oxo-1,4-diazepane-1-carbonyl]benzoate CAS Name: 2-[[4-(cyclopropylmethyl)-5-oxo-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(cyclopropylmethyl)-5-oxo-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 2-[4-(cyclopropylmethyl)-5-keto-1,4-diazepane-1-carbonyl]benzoic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3CC3

InChI

InChI=1S/C18H22N2O4/c1-24-18(23)15-5-3-2-4-14(15)17(22)19-9-8-16(21)20(11-10-19)12-13-6-7-13/h2-5,13H,6-12H2,1H3