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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O)OC)OC

InChI

InChI=1S/C22H26BrNO5/c1-27-18-11-10-16(20(28-2)21(18)29-3)19(14-7-6-8-15(23)13-14)24-12-5-4-9-17(24)22(25)26/h6-8,10-11,13,17,19H,4-5,9,12H2,1-3H3,(H,25,26)