1-[(5-bromanyl-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C27H28BrNO3 MolecularWeight: 494.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H28BrNO3/c1-2-32-25-13-12-23(28)18-24(25)26(29-16-14-22(15-17-29)27(30)31)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,18,22,26H,2,14-17H2,1H3,(H,30,31)