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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]cinchoninamide Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO)C

InChI

InChI=1S/C29H27N3O2/c1-18-11-12-20(13-19(18)2)28-15-25(24-8-4-6-10-27(24)32-28)29(34)31-22(17-33)14-21-16-30-26-9-5-3-7-23(21)26/h3-13,15-16,22,30,33H,14,17H2,1-2H3,(H,31,34)/t22-/m1/s1