1-[(5-bromanyl-2-methoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-chlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-chlorophenyl)methyl]isonipecotic acid Formula: C20H21BrClNO3 MolecularWeight: 438.74264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H21BrClNO3/c1-26-18-6-5-15(21)12-17(18)19(14-3-2-4-16(22)11-14)23-9-7-13(8-10-23)20(24)25/h2-6,11-13,19H,7-10H2,1H3,(H,24,25)