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

Systemtic Name: 1-[(4-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic 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=C(C=C2)Cl)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCC(CC3)C(=O)O)OC)OC

InChI

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