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

Systemtic Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-chloranylbenzoate Openeye Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(1-azepanyl)-2-(2,4-dichlorophenyl)butyl] ester IUPAC Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] ester Formula: C23H26Cl3NO2 MolecularWeight: 454.81704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(COC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CCC(COC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H26Cl3NO2/c24-19-7-5-17(6-8-19)23(28)29-16-18(21-10-9-20(25)15-22(21)26)11-14-27-12-3-1-2-4-13-27/h5-10,15,18H,1-4,11-14,16H2