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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O3/c1-14(2)19-11-17(16-7-3-4-8-18(16)24-19)22(25)23-12-15-13-26-20-9-5-6-10-21(20)27-15/h3-11,14-15H,12-13H2,1-2H3,(H,23,25)/t15-/m0/s1