1-[(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(4-chlorophenyl)methyl]isonipecotic acid Formula: C22H26ClNO5 MolecularWeight: 419.89854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)Cl)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)Cl)N3CCC(CC3)C(=O)O)OC)OC

InChI

InChI=1S/C22H26ClNO5/c1-27-18-13-20(29-3)19(28-2)12-17(18)21(14-4-6-16(23)7-5-14)24-10-8-15(9-11-24)22(25)26/h4-7,12-13,15,21H,8-11H2,1-3H3,(H,25,26)