4-[2-[3,5-bis(chloranyl)pyridin-4-yl]ethyl]-7-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[2-[3,5-bis(chloranyl)pyridin-4-yl]ethyl]-7-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-[2-(3,5-dichloro-4-pyridyl)ethyl]-7-methyl-benzofuran-2-carboxylic acid CAS Name: 4-[2-(3,5-dichloro-4-pyridinyl)ethyl]-7-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-[2-(3,5-dichloropyridin-4-yl)ethyl]-7-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-[2-(3,5-dichloro-4-pyridyl)ethyl]-7-methyl-coumarilic acid Formula: C17H13Cl2NO3 MolecularWeight: 350.19602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)CCC3=C(C=NC=C3Cl)Cl)C=C(O2)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)CCC3=C(C=NC=C3Cl)Cl)C=C(O2)C(=O)O

InChI

InChI=1S/C17H13Cl2NO3/c1-9-2-3-10(12-6-15(17(21)22)23-16(9)12)4-5-11-13(18)7-20-8-14(11)19/h2-3,6-8H,4-5H2,1H3,(H,21,22)