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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)OC)OC

InChI

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