methyl 3-[(4-cyclohexylcarbonyl-7-oxidanylidene-1,4-diazepan-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(4-cyclohexylcarbonyl-7-oxidanylidene-1,4-diazepan-1-yl)methyl]benzoate Openeye Name: methyl 3-[[4-(cyclohexanecarbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[cyclohexyl(oxo)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexanecarbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[4-(cyclohexanecarbonyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3CCCCC3

InChI

InChI=1S/C21H28N2O4/c1-27-21(26)18-9-5-6-16(14-18)15-23-13-12-22(11-10-19(23)24)20(25)17-7-3-2-4-8-17/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3