[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C18H25NO4/c1-14-9-15(2)11-16(10-14)22-13-18(21)23-12-17(20)19-7-5-3-4-6-8-19/h9-11H,3-8,12-13H2,1-2H3