(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-quinolin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-quinolin-2-yl-prop-2-enamide Openeye Name: (E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-quinolyl)prop-2-enamide CAS Name: (E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-quinolinyl)-2-propenamide IUPAC Name: (E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-quinolin-2-ylprop-2-enamide Traditional Name: (E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-quinolyl)acrylamide Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O3/c24-21(12-11-16-10-9-15-5-1-2-6-18(15)23-16)22-13-17-14-25-19-7-3-4-8-20(19)26-17/h1-12,17H,13-14H2,(H,22,24)/b12-11+/t17-/m0/s1