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

Systemtic Name: ethanedioic acid; 4-[4-[2-oxidanyl-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-hydroxy-3-(3-isopropoxypropylamino)propoxy]phenyl]butan-2-one; oxalic acid CAS Name: 4-[4-[2-hydroxy-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]-2-butanone; oxalic acid IUPAC Name: 4-[4-[2-hydroxy-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[2-hydroxy-3-(3-isopropoxypropylamino)propoxy]phenyl]butan-2-one; oxalic acid Formula: C21H33NO8 MolecularWeight: 427.48862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4.C2H2O4/c1-15(2)23-12-4-11-20-13-18(22)14-24-19-9-7-17(8-10-19)6-5-16(3)21;3-1(4)2(5)6/h7-10,15,18,20,22H,4-6,11-14H2,1-3H3;(H,3,4)(H,5,6)