[4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate

Systemtic Name: [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate Openeye Name: [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-(1-azepanyl)-2-(3,4-dichlorophenyl)butyl] ester IUPAC Name: [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] ester Formula: C23H33Cl2NO2 MolecularWeight: 426.41962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(COC(=O)C2CCCCC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CCC(COC(=O)C2CCCCC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H33Cl2NO2/c24-21-11-10-19(16-22(21)25)20(12-15-26-13-6-1-2-7-14-26)17-28-23(27)18-8-4-3-5-9-18/h10-11,16,18,20H,1-9,12-15,17H2