1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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