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

Systemtic Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-isopropylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-p-cumenyl-methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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