1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H22BrNO2S/c1-2-16-6-7-17(24-16)18(14-4-3-5-15(20)12-14)21-10-8-13(9-11-21)19(22)23/h3-7,12-13,18H,2,8-11H2,1H3,(H,22,23)