1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-o-phenetyl-methyl]pipecolinic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-2-24-15-9-4-3-7-13(15)18(16-10-11-17(20)25-16)21-12-6-5-8-14(21)19(22)23/h3-4,7,9-11,14,18H,2,5-6,8,12H2,1H3,(H,22,23)