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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H22BrCl2NO3/c1-2-28-19-9-7-14(22)12-15(19)20(13-6-8-16(23)17(24)11-13)25-10-4-3-5-18(25)21(26)27/h6-9,11-12,18,20H,2-5,10H2,1H3,(H,26,27)