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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H25BrClNO5/c1-28-18-7-6-14(24)9-16(18)21(25-8-4-5-13(12-25)22(26)27)15-10-19(29-2)20(30-3)11-17(15)23/h6-7,9-11,13,21H,4-5,8,12H2,1-3H3,(H,26,27)