1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic 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=C2Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O

InChI

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