N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C30H29N3O5/c1-36-27-13-18(14-28(37-2)29(27)38-3)26-15-23(22-9-5-7-11-25(22)33-26)30(35)32-20(17-34)12-19-16-31-24-10-6-4-8-21(19)24/h4-11,13-16,20,31,34H,12,17H2,1-3H3,(H,32,35)/t20-/m0/s1