methyl 4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butanoate

Systemtic Name: methyl 4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butanoate Openeye Name: methyl 4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butanoate CAS Name: 4-(1-azepanyl)-2-(3,4-dichlorophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butanoate Traditional Name: 4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyric acid methyl ester Formula: C17H23Cl2NO2 MolecularWeight: 344.27602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1CCCCCC1)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C(CCN1CCCCCC1)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H23Cl2NO2/c1-22-17(21)14(13-6-7-15(18)16(19)12-13)8-11-20-9-4-2-3-5-10-20/h6-7,12,14H,2-5,8-11H2,1H3