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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C21H22BrCl2NO4/c1-28-18-10-14(15(22)11-19(18)29-2)20(13-7-6-12(23)9-16(13)24)25-8-4-3-5-17(25)21(26)27/h6-7,9-11,17,20H,3-5,8H2,1-2H3,(H,26,27)