1-[(2-bromanyl-4,5-dimethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-phenyl-methyl]isonipecotic 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=C2)N3CCC(CC3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)Br)OC

InChI

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