1-[(5-bromanyl-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]nipecotic acid Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O)C

InChI

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