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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]pipecolinic acid Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO3/c1-3-27-20-11-10-17(23)14-18(20)21(16-8-6-7-15(2)13-16)24-12-5-4-9-19(24)22(25)26/h6-8,10-11,13-14,19,21H,3-5,9,12H2,1-2H3,(H,25,26)