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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2NO3/c1-27-18-7-4-13(21)9-16(18)19(15-6-5-14(22)10-17(15)23)24-8-2-3-12(11-24)20(25)26/h4-7,9-10,12,19H,2-3,8,11H2,1H3,(H,25,26)