1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-ethyl-2-thienyl)methyl]pipecolinic acid Formula: C19H22BrNO2S MolecularWeight: 408.35248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

InChI

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