[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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