N-[1-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]quinoline-2-carboxamide; ethanedioic acid

Systemtic Name: N-[1-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]quinoline-2-carboxamide; ethanedioic acid Openeye Name: N-[1-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]quinoline-2-carboxamide; oxalic acid CAS Name: N-[1-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-2-quinolinecarboxamide; oxalic acid IUPAC Name: N-[1-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]quinoline-2-carboxamide; oxalic acid Traditional Name: N-[1-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]quinaldamide; oxalic acid Formula: C24H24N4O7 MolecularWeight: 480.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(COC1=CC=CC=C1C#N)O)NC(=O)C2=NC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(NCC(COC1=CC=CC=C1C#N)O)NC(=O)C2=NC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N4O3.C2H2O4/c1-15(24-13-18(27)14-29-21-9-5-3-7-17(21)12-23)25-22(28)20-11-10-16-6-2-4-8-19(16)26-20;3-1(4)2(5)6/h2-11,15,18,24,27H,13-14H2,1H3,(H,25,28);(H,3,4)(H,5,6)