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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,5-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3,5-dimethylphenyl)methyl]pipecolinic acid Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C19H22BrNO2S/c1-12-9-13(2)11-14(10-12)18(16-6-7-17(20)24-16)21-8-4-3-5-15(21)19(22)23/h6-7,9-11,15,18H,3-5,8H2,1-2H3,(H,22,23)