1-[(5-bromanylthiophen-2-yl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(p-tolyl)methyl]proline Formula: C17H18BrNO2S MolecularWeight: 380.29932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C17H18BrNO2S/c1-11-4-6-12(7-5-11)16(14-8-9-15(18)22-14)19-10-2-3-13(19)17(20)21/h4-9,13,16H,2-3,10H2,1H3,(H,20,21)