1-(azepan-1-yl)-2-(2-phosphonatophenoxy)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2-phosphonatophenoxy)ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-phosphonatophenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-(2-phosphonatophenoxy)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-phosphonatophenoxy)ethanone Traditional Name: 1-(azepan-1-yl)-2-(2-phosphonatophenoxy)ethanone Formula: C14H18NO5P-2 MolecularWeight: 311.270181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=CC=C2P(=O)([O-])[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=CC=C2P(=O)([O-])[O-]

InChI

InChI=1S/C14H20NO5P/c16-14(15-9-5-1-2-6-10-15)11-20-12-7-3-4-8-13(12)21(17,18)19/h3-4,7-8H,1-2,5-6,9-11H2,(H2,17,18,19)/p-2