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

Systemtic Name: 1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-isopropylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-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=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO2/c1-15(2)16-10-12-17(13-11-16)21(18-7-3-4-8-19(18)23)24-14-6-5-9-20(24)22(25)26/h3-4,7-8,10-13,15,20-21H,5-6,9,14H2,1-2H3,(H,25,26)