1-[(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-2-bromo-5-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-benzoxy-2-bromo-5-methoxy-benzyl)isonipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCC(CC2)C(=O)O)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCC(CC2)C(=O)O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrNO4/c1-26-19-11-17(13-23-9-7-16(8-10-23)21(24)25)18(22)12-20(19)27-14-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,24,25)