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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-phenoxyphenyl)methyl]nipecotic acid Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C23H22BrNO3S/c24-21-12-11-20(29-21)22(25-13-5-7-17(15-25)23(26)27)16-6-4-10-19(14-16)28-18-8-2-1-3-9-18/h1-4,6,8-12,14,17,22H,5,7,13,15H2,(H,26,27)