[4-(azepan-1-yl)-2-naphthalen-2-yl-butyl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [4-(azepan-1-yl)-2-naphthalen-2-yl-butyl] 2,4-bis(chloranyl)benzoate Openeye Name: [4-(azepan-1-yl)-2-(2-naphthyl)butyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [4-(1-azepanyl)-2-(2-naphthalenyl)butyl] ester IUPAC Name: [4-(azepan-1-yl)-2-naphthalen-2-ylbutyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [4-(azepan-1-yl)-2-(2-naphthyl)butyl] ester Formula: C27H29Cl2NO2 MolecularWeight: 470.43066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29Cl2NO2/c28-24-11-12-25(26(29)18-24)27(31)32-19-23(13-16-30-14-5-1-2-6-15-30)22-10-9-20-7-3-4-8-21(20)17-22/h3-4,7-12,17-18,23H,1-2,5-6,13-16,19H2