4-[[2-ethyl-3-[[[(2S)-2-oxidanylcyclohexyl]amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-[[[(2S)-2-oxidanylcyclohexyl]amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-[[[(2S)-2-hydroxycyclohexyl]amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-[[[(2S)-2-hydroxycyclohexyl]amino]methyl]anilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-[[[(2S)-2-hydroxycyclohexyl]amino]methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[2-ethyl-3-[[[(2S)-2-hydroxycyclohexyl]amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC4CCCCC4O

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC4CCCC[C@@H]4O

InChI

InChI=1S/C27H34N4O4/c1-4-17-16(14-29-21-9-5-6-11-23(21)32)8-7-10-20(17)31-26-18-12-24(34-2)25(35-3)13-22(18)30-15-19(26)27(28)33/h7-8,10,12-13,15,21,23,29,32H,4-6,9,11,14H2,1-3H3,(H2,28,33)(H,30,31)/t21?,23-/m0/s1