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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4-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=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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