1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]pipecolinic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-14-6-8-15(9-7-14)20(17-13-16(22)10-11-19(17)26-2)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)