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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]pipecolinic acid Formula: C18H20BrNO3S MolecularWeight: 410.3253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-23-14-8-3-2-6-12(14)17(15-9-10-16(19)24-15)20-11-5-4-7-13(20)18(21)22/h2-3,6,8-10,13,17H,4-5,7,11H2,1H3,(H,21,22)