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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C21H23BrClNO4 MolecularWeight: 468.76862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClNO4/c1-27-18-7-5-14(22)10-16(18)20(17-11-15(23)6-8-19(17)28-2)24-9-3-4-13(12-24)21(25)26/h5-8,10-11,13,20H,3-4,9,12H2,1-2H3,(H,25,26)