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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]nipecotic acid Formula: C21H22BrCl2NO3 MolecularWeight: 487.21428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H22BrCl2NO3/c1-2-28-19-8-6-15(22)11-16(19)20(13-5-7-17(23)18(24)10-13)25-9-3-4-14(12-25)21(26)27/h5-8,10-11,14,20H,2-4,9,12H2,1H3,(H,26,27)