N-(3-ethylpent-1-yn-3-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C23H23NO3 MolecularWeight: 361.43362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-4-23(5-2,6-3)24-21(25)17-12-13-19-18(14-17)15-20(27-22(19)26)16-10-8-7-9-11-16/h1,7-14,20H,5-6,15H2,2-3H3,(H,24,25)