4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]amino]butyric acid Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNCCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CNCCCC(=O)O

InChI

InChI=1S/C12H22N2O3/c15-11(10-13-7-5-6-12(16)17)14-8-3-1-2-4-9-14/h13H,1-10H2,(H,16,17)