1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]nipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-26-17-10-5-11-18(27-2)19(17)20(15-8-3-4-9-16(15)22)23-12-6-7-14(13-23)21(24)25/h3-5,8-11,14,20H,6-7,12-13H2,1-2H3,(H,24,25)