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

Systemtic Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H20BrNO2S MolecularWeight: 394.3259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20BrNO2S/c1-12-6-7-16(23-12)17(14-4-2-3-5-15(14)19)20-10-8-13(9-11-20)18(21)22/h2-7,13,17H,8-11H2,1H3,(H,21,22)