methyl 2-[3-(hydroxymethyl)-2-oxidanylidene-azocan-1-yl]propanoate

Systemtic Name: methyl 2-[3-(hydroxymethyl)-2-oxidanylidene-azocan-1-yl]propanoate Openeye Name: methyl 2-[3-(hydroxymethyl)-2-oxo-azocan-1-yl]propanoate CAS Name: 2-[3-(hydroxymethyl)-2-oxo-1-azocanyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(hydroxymethyl)-2-oxoazocan-1-yl]propanoate Traditional Name: 2-(2-keto-3-methylol-azocan-1-yl)propionic acid methyl ester Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCCCCC(C1=O)CO

Isomeric SMILES

CC(C(=O)OC)N1CCCCCC(C1=O)CO

InChI

InChI=1S/C12H21NO4/c1-9(12(16)17-2)13-7-5-3-4-6-10(8-14)11(13)15/h9-10,14H,3-8H2,1-2H3