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

Systemtic Name: 1-[(2-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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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

Isomeric SMILES

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

InChI

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