1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-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=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

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