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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C22H26BrNO3/c1-14-10-15(2)12-16(11-14)21(18-13-17(23)7-8-20(18)27-3)24-9-5-4-6-19(24)22(25)26/h7-8,10-13,19,21H,4-6,9H2,1-3H3,(H,25,26)