1-[(5-bromanylthiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,4-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2,4-dimethylphenyl)methyl]isonipecotic acid Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)C

InChI

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