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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H25BrClNO5 MolecularWeight: 498.7946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H25BrClNO5/c1-28-18-8-7-13(24)10-15(18)21(25-9-5-4-6-17(25)22(26)27)14-11-19(29-2)20(30-3)12-16(14)23/h7-8,10-12,17,21H,4-6,9H2,1-3H3,(H,26,27)