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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C22H26BrNO5/c1-27-16-7-8-17(20(12-16)29-3)21(18-11-15(23)6-9-19(18)28-2)24-10-4-5-14(13-24)22(25)26/h6-9,11-12,14,21H,4-5,10,13H2,1-3H3,(H,25,26)