methyl 2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate Openeye Name: methyl 2-(azepane-1-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbonylamino)-3-methylbutanoate Traditional Name: 2-(azepane-1-carbonylamino)-3-methyl-butyric acid methyl ester Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCCCCC1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)N1CCCCCC1

InChI

InChI=1S/C13H24N2O3/c1-10(2)11(12(16)18-3)14-13(17)15-8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)