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

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

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O)C

InChI

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