[2-(3,5-dimethyl-2-oxidanylidene-pyran-4-yl)-1-benzofuran-3-yl] 2-azanylethanoate hydrochloride

Systemtic Name: [2-(3,5-dimethyl-2-oxidanylidene-pyran-4-yl)-1-benzofuran-3-yl] 2-azanylethanoate hydrochloride Openeye Name: [2-(3,5-dimethyl-2-oxo-pyran-4-yl)benzofuran-3-yl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [2-(3,5-dimethyl-2-oxo-4-pyranyl)-3-benzofuranyl] ester hydrochloride IUPAC Name: [2-(3,5-dimethyl-2-oxopyran-4-yl)-1-benzofuran-3-yl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [2-(2-keto-3,5-dimethyl-pyran-4-yl)benzofuran-3-yl] ester hydrochloride Formula: C17H16ClNO5 MolecularWeight: 349.76564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=O)C(=C1C2=C(C3=CC=CC=C3O2)OC(=O)CN)C.Cl

Isomeric SMILES

CC1=COC(=O)C(=C1C2=C(C3=CC=CC=C3O2)OC(=O)CN)C.Cl

InChI

InChI=1S/C17H15NO5.ClH/c1-9-8-21-17(20)10(2)14(9)16-15(23-13(19)7-18)11-5-3-4-6-12(11)22-16;/h3-6,8H,7,18H2,1-2H3;1H