3-phenethyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-phenethyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-phenethylbenzofuran-2-carboxylic acid CAS Name: 3-phenethyl-2-benzofurancarboxylic acid IUPAC Name: 3-phenethyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-phenethylcoumarilic acid Formula: C17H14O3 MolecularWeight: 266.29126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14O3/c18-17(19)16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-16/h1-9H,10-11H2,(H,18,19)