methyl 4-[(E)-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyiminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyiminomethyl]benzoate Openeye Name: methyl 4-[(E)-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]iminomethyl]benzoate CAS Name: 4-[(E)-[1-(1-azepanyl)-1-oxopropan-2-yl]oxyiminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyiminomethyl]benzoate Traditional Name: 4-[(E)-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]oximinomethyl]benzoic acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)ON=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)O/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H24N2O4/c1-14(17(21)20-11-5-3-4-6-12-20)24-19-13-15-7-9-16(10-8-15)18(22)23-2/h7-10,13-14H,3-6,11-12H2,1-2H3/b19-13+