1-[(5-bromanylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid Formula: C20H24BrNO5S MolecularWeight: 470.37726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H24BrNO5S/c1-25-14-10-12(11-15(26-2)19(14)27-3)18(16-7-8-17(21)28-16)22-9-5-4-6-13(22)20(23)24/h7-8,10-11,13,18H,4-6,9H2,1-3H3,(H,23,24)