1-[(5-bromanylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C24H24BrNO3S MolecularWeight: 486.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C24H24BrNO3S/c25-22-11-10-21(30-22)23(26-14-12-18(13-15-26)24(27)28)19-8-4-5-9-20(19)29-16-17-6-2-1-3-7-17/h1-11,18,23H,12-16H2,(H,27,28)