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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]isonipecotic acid Formula: C20H20BrCl2NO3 MolecularWeight: 473.1877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H20BrCl2NO3/c1-27-18-5-2-13(21)10-16(18)19(15-4-3-14(22)11-17(15)23)24-8-6-12(7-9-24)20(25)26/h2-5,10-12,19H,6-9H2,1H3,(H,25,26)