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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO3/c1-3-27-20-10-9-18(23)13-19(20)21(16-7-4-6-15(2)12-16)24-11-5-8-17(14-24)22(25)26/h4,6-7,9-10,12-13,17,21H,3,5,8,11,14H2,1-2H3,(H,25,26)