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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-14-3-5-15(6-4-14)20(18-13-17(22)7-8-19(18)26-2)23-11-9-16(10-12-23)21(24)25/h3-8,13,16,20H,9-12H2,1-2H3,(H,24,25)