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

Systemtic Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluoranylbenzoate Openeye Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-(1-azepanyl)-2-(2,4-dichlorophenyl)butyl] ester IUPAC Name: [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] ester Formula: C23H26Cl2FNO2 MolecularWeight: 438.362443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2FNO2/c24-19-7-10-21(22(25)15-19)18(11-14-27-12-3-1-2-4-13-27)16-29-23(28)17-5-8-20(26)9-6-17/h5-10,15,18H,1-4,11-14,16H2