4-[4-[3-(dipropylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one; ethanedioic acid

Systemtic Name: 4-[4-[3-(dipropylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one; ethanedioic acid Openeye Name: 4-[4-[3-(dipropylamino)-2-hydroxy-propoxy]phenyl]butan-2-one; oxalic acid CAS Name: 4-[4-[3-(dipropylamino)-2-hydroxypropoxy]phenyl]-2-butanone; oxalic acid IUPAC Name: 4-[4-[3-(dipropylamino)-2-hydroxypropoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[3-(dipropylamino)-2-hydroxy-propoxy]phenyl]butan-2-one; oxalic acid Formula: C21H33NO7 MolecularWeight: 411.48922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(COC1=CC=C(C=C1)CCC(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCC)CC(COC1=CC=C(C=C1)CCC(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO3.C2H2O4/c1-4-12-20(13-5-2)14-18(22)15-23-19-10-8-17(9-11-19)7-6-16(3)21;3-1(4)2(5)6/h8-11,18,22H,4-7,12-15H2,1-3H3;(H,3,4)(H,5,6)