1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C22H26ClNO5 MolecularWeight: 419.89854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H26ClNO5/c1-27-18-11-16(12-19(28-2)21(18)29-3)20(14-6-8-17(23)9-7-14)24-10-4-5-15(13-24)22(25)26/h6-9,11-12,15,20H,4-5,10,13H2,1-3H3,(H,25,26)