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

Systemtic Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic 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=C2Br)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O)OC)OC

InChI

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