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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=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(14-6-4-8-17(23)10-14)24-9-5-7-15(13-24)22(25)26/h4,6,8,10-12,15,20H,5,7,9,13H2,1-3H3,(H,25,26)