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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]isonipecotic acid Formula: C22H26BrNO4 MolecularWeight: 448.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H26BrNO4/c1-3-28-20-8-7-17(23)14-19(20)21(16-5-4-6-18(13-16)27-2)24-11-9-15(10-12-24)22(25)26/h4-8,13-15,21H,3,9-12H2,1-2H3,(H,25,26)