1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C21H22BrCl2NO4 MolecularWeight: 503.21368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)Br)OC

InChI

InChI=1S/C21H22BrCl2NO4/c1-28-18-9-15(16(22)10-19(18)29-2)20(14-6-5-13(23)8-17(14)24)25-7-3-4-12(11-25)21(26)27/h5-6,8-10,12,20H,3-4,7,11H2,1-2H3,(H,26,27)