3-ethyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-ethyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-ethyl-5-(3-pyridylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-ethyl-5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 3-ethyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-ethyl-5-(3-pyridylmethyl)coumarilic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C1C=C(C=C2)CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(OC2=C1C=C(C=C2)CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C17H15NO3/c1-2-13-14-9-11(8-12-4-3-7-18-10-12)5-6-15(14)21-16(13)17(19)20/h3-7,9-10H,2,8H2,1H3,(H,19,20)