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

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

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

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