4-azanyl-3-butoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-azanyl-3-butoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 4-amino-3-butoxy-5-(3-pyridylmethyl)benzofuran-2-carboxylic acid CAS Name: 4-amino-3-butoxy-5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 4-amino-3-butoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 4-amino-3-butoxy-5-(3-pyridylmethyl)coumarilic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(OC2=C1C(=C(C=C2)CC3=CN=CC=C3)N)C(=O)O

Isomeric SMILES

CCCCOC1=C(OC2=C1C(=C(C=C2)CC3=CN=CC=C3)N)C(=O)O

InChI

InChI=1S/C19H20N2O4/c1-2-3-9-24-17-15-14(25-18(17)19(22)23)7-6-13(16(15)20)10-12-5-4-8-21-11-12/h4-8,11H,2-3,9-10,20H2,1H3,(H,22,23)