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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(5-bromo-2-thienyl)methyl]pipecolinic acid Formula: C24H24BrNO3S MolecularWeight: 486.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

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