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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO4/c1-15-13-16(20)8-9-17(15)24-12-6-7-19(23)25-14-18(22)21-10-4-2-3-5-11-21/h8-9,13H,2-7,10-12,14H2,1H3