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

Systemtic Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-isopropylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-p-cumenyl-methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

InChI

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