4-[3-[butan-2-yl(butyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-[3-[butan-2-yl(butyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-[3-[butyl(sec-butyl)amino]-2-hydroxy-propoxy]benzonitrile; oxalic acid CAS Name: 4-[3-[butan-2-yl(butyl)amino]-2-hydroxypropoxy]benzonitrile; oxalic acid IUPAC Name: 4-[3-[butan-2-yl(butyl)amino]-2-hydroxypropoxy]benzonitrile; oxalic acid Traditional Name: 4-[3-[butyl(sec-butyl)amino]-2-hydroxy-propoxy]benzonitrile; oxalic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(COC1=CC=C(C=C1)C#N)O)C(C)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CC(COC1=CC=C(C=C1)C#N)O)C(C)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2.C2H2O4/c1-4-6-11-20(15(3)5-2)13-17(21)14-22-18-9-7-16(12-19)8-10-18;3-1(4)2(5)6/h7-10,15,17,21H,4-6,11,13-14H2,1-3H3;(H,3,4)(H,5,6)