[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO4/c1-13(17(21)19-10-4-2-3-5-11-19)23-16(20)12-22-15-8-6-14(18)7-9-15/h6-9,13H,2-5,10-12H2,1H3/t13-/m1/s1