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

Systemtic Name: 6-azanyl-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-amino-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-amino-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-amino-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-amino-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C30H30N4O5/c1-37-27-11-17(12-28(38-2)29(27)39-3)26-14-23(22-13-19(31)8-9-25(22)34-26)30(36)33-20(16-35)10-18-15-32-24-7-5-4-6-21(18)24/h4-9,11-15,20,32,35H,10,16,31H2,1-3H3,(H,33,36)/t20-/m1/s1