4-[[2-ethyl-3-[[methyl-[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-[[methyl-[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-[[[(1R)-1-(hydroxymethyl)-3-methyl-butyl]-methyl-amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-[[[(2R)-1-hydroxy-4-methylpentan-2-yl]-methylamino]methyl]anilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-[[[(2R)-1-hydroxy-4-methylpentan-2-yl]-methylamino]methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[2-ethyl-3-[[methyl-[(1R)-3-methyl-1-methylol-butyl]amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C28H38N4O4 MolecularWeight: 494.62572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CN(C)C(CC(C)C)CO

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CN(C)[C@H](CC(C)C)CO

InChI

InChI=1S/C28H38N4O4/c1-7-20-18(15-32(4)19(16-33)11-17(2)3)9-8-10-23(20)31-27-21-12-25(35-5)26(36-6)13-24(21)30-14-22(27)28(29)34/h8-10,12-14,17,19,33H,7,11,15-16H2,1-6H3,(H2,29,34)(H,30,31)/t19-/m1/s1