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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

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