4-(2-cyclopropylethynyl)-N-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

Systemtic Name: 4-(2-cyclopropylethynyl)-N-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Openeye Name: 4-(2-cyclopropylethynyl)-N-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide CAS Name: 4-(2-cyclopropylethynyl)-N-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide IUPAC Name: 4-(2-cyclopropylethynyl)-N-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Traditional Name: 4-(2-cyclopropylethynyl)-N-[(2S)-2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Formula: C21H19NO4 MolecularWeight: 349.37986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(CO4)CO

Isomeric SMILES

C1CC1C#CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)O[C@H](CO4)CO

InChI

InChI=1S/C21H19NO4/c23-12-18-13-25-20-11-17(9-10-19(20)26-18)22-21(24)16-7-5-15(6-8-16)4-3-14-1-2-14/h5-11,14,18,23H,1-2,12-13H2,(H,22,24)/t18-/m0/s1