(4-imidazol-1-yl-2-naphthalen-1-yl-butyl) 2,4-bis(chloranyl)benzoate hydrochloride

Systemtic Name: (4-imidazol-1-yl-2-naphthalen-1-yl-butyl) 2,4-bis(chloranyl)benzoate hydrochloride Openeye Name: [4-imidazol-1-yl-2-(1-naphthyl)butyl] 2,4-dichlorobenzoate hydrochloride CAS Name: 2,4-dichlorobenzoic acid [4-(1-imidazolyl)-2-(1-naphthalenyl)butyl] ester hydrochloride IUPAC Name: (4-imidazol-1-yl-2-naphthalen-1-ylbutyl) 2,4-dichlorobenzoate hydrochloride Traditional Name: 2,4-dichlorobenzoic acid [4-imidazol-1-yl-2-(1-naphthyl)butyl] ester hydrochloride Formula: C24H21Cl3N2O2 MolecularWeight: 475.79474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(CCN3C=CN=C3)COC(=O)C4=C(C=C(C=C4)Cl)Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(CCN3C=CN=C3)COC(=O)C4=C(C=C(C=C4)Cl)Cl.Cl

InChI

InChI=1S/C24H20Cl2N2O2.ClH/c25-19-8-9-22(23(26)14-19)24(29)30-15-18(10-12-28-13-11-27-16-28)21-7-3-5-17-4-1-2-6-20(17)21;/h1-9,11,13-14,16,18H,10,12,15H2;1H