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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H24ClNO5 MolecularWeight: 369.83986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO5/c1-12(17(21)20-8-6-4-5-7-9-20)25-18(22)13-10-14(19)16(24-3)15(11-13)23-2/h10-12H,4-9H2,1-3H3