3-[(3-fluoranyl-4-hexyl-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride

Systemtic Name: 3-[(3-fluoranyl-4-hexyl-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride Openeye Name: 3-[(3-fluoro-4-hexyl-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride CAS Name: 3-[(3-fluoro-4-hexylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride IUPAC Name: 3-[(3-fluoro-4-hexylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid hydrochloride Traditional Name: 3-[(3-fluoro-4-hexyl-benzyl)amino]cyclopentane-1,1-dicarboxylic acid hydrochloride Formula: C20H29ClFNO4 MolecularWeight: 401.899963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)F.Cl

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)F.Cl

InChI

InChI=1S/C20H28FNO4.ClH/c1-2-3-4-5-6-15-8-7-14(11-17(15)21)13-22-16-9-10-20(12-16,18(23)24)19(25)26;/h7-8,11,16,22H,2-6,9-10,12-13H2,1H3,(H,23,24)(H,25,26);1H