2-[4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-(1-azepanyl)-1-oxopropan-2-yl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]piperazino]acetic acid Formula: C15H27N3O3 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C15H27N3O3/c1-13(15(21)18-6-4-2-3-5-7-18)17-10-8-16(9-11-17)12-14(19)20/h13H,2-12H2,1H3,(H,19,20)