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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H22BrCl2NO3/c1-2-28-19-6-4-15(22)12-16(19)20(14-3-5-17(23)18(24)11-14)25-9-7-13(8-10-25)21(26)27/h3-6,11-13,20H,2,7-10H2,1H3,(H,26,27)