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

Systemtic Name: 1-[(3-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(3-bromophenyl)methyl]nipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)OC)OC

InChI

InChI=1S/C22H26BrNO5/c1-27-18-12-20(29-3)19(28-2)11-17(18)21(14-6-4-8-16(23)10-14)24-9-5-7-15(13-24)22(25)26/h4,6,8,10-12,15,21H,5,7,9,13H2,1-3H3,(H,25,26)