[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO5/c1-12(17(21)20-8-6-4-5-7-9-20)25-18(22)13-10-14(23-2)16(19)15(11-13)24-3/h10-12H,4-9H2,1-3H3/t12-/m1/s1