2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]quinoline-4-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]quinoline-4-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]cinchoninamide Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC(CC5=CNC6=CC=CC=C65)CO

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)N[C@H](CC5=CNC6=CC=CC=C65)CO

InChI

InChI=1S/C29H25N3O4/c33-17-20(13-19-16-30-24-7-3-1-5-21(19)24)31-29(34)23-15-26(32-25-8-4-2-6-22(23)25)18-9-10-27-28(14-18)36-12-11-35-27/h1-10,14-16,20,30,33H,11-13,17H2,(H,31,34)/t20-/m1/s1