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

Systemtic Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-isopropylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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