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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]amino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1S)-1-(hydroxymethyl)-3-methyl-butyl]amino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1S)-3-methyl-1-methylol-butyl]amino]methyl]anilino]quinoline-3-carboxamide Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(CC(C)C)CO

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c1-6-21-19(15-31-20(17-34)12-18(4)5)10-9-11-24(21)33-28-22-13-26(36-7-2)27(37-8-3)14-25(22)32-16-23(28)29(30)35/h9-11,13-14,16,18,20,31,34H,6-8,12,15,17H2,1-5H3,(H2,30,35)(H,32,33)/t20-/m0/s1