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

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

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O)OC)OC

InChI

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