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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C19H22BrNO2S/c1-12-8-13(2)10-15(9-12)18(16-5-6-17(20)24-16)21-7-3-4-14(11-21)19(22)23/h5-6,8-10,14,18H,3-4,7,11H2,1-2H3,(H,22,23)