N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methyl-quinoline-4-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methyl-quinoline-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methylquinoline-4-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-3-methyl-cinchoninamide Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O3/c1-3-17-14(2)21(16-8-4-5-9-18(16)24-17)22(25)23-12-15-13-26-19-10-6-7-11-20(19)27-15/h4-11,15H,3,12-13H2,1-2H3,(H,23,25)/t15-/m0/s1