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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOCC(=O)CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CCOCC(=O)CC(=O)[O-]

InChI

InChI=1S/C12H21NO4/c14-11(9-12(15)16)10-17-8-7-13-5-3-1-2-4-6-13/h1-10H2,(H,15,16)/p-1