4-[1-(azepan-2-yl)ethoxy]-3-oxidanylidene-butanoate

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-3-oxidanylidene-butanoate Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-3-oxo-butanoate CAS Name: 4-[1-(2-azepanyl)ethoxy]-3-oxobutanoate IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-3-oxobutanoate Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-3-keto-butyrate Formula: C12H20NO4- MolecularWeight: 242.2915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCN1)OCC(=O)CC(=O)[O-]

Isomeric SMILES

CC(C1CCCCCN1)OCC(=O)CC(=O)[O-]

InChI

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