1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-isopropylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-p-cumenyl-methyl]pipecolinic acid Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO2/c1-15(2)16-9-11-17(12-10-16)21(18-6-5-7-19(23)14-18)24-13-4-3-8-20(24)22(25)26/h5-7,9-12,14-15,20-21H,3-4,8,13H2,1-2H3,(H,25,26)