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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]anilino]quinoline-3-carboxamide Formula: C31H36N4O4 MolecularWeight: 528.64194

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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(CO)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CN[C@@H](CO)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O4/c1-4-22-21(17-33-27(19-36)20-11-8-7-9-12-20)13-10-14-25(22)35-30-23-15-28(38-5-2)29(39-6-3)16-26(23)34-18-24(30)31(32)37/h7-16,18,27,33,36H,4-6,17,19H2,1-3H3,(H2,32,37)(H,34,35)/t27-/m0/s1