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

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

Systemtic Name:ethanedioic acid; 4-[4-[2-oxidanyl-3-(pentan-3-ylamino)propoxy]phenyl]butan-2-one
Openeye Name:4-[4-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]phenyl]butan-2-one; oxalic acid
CAS Name:4-[4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]phenyl]-2-butanone; oxalic acid
IUPAC Name:4-[4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]phenyl]butan-2-one; oxalic acid
Traditional Name:4-[4-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]phenyl]butan-2-one; oxalic acid
Formula: C20H31NO7
MolecularWeight: 397.46264
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H29NO3.C2H2O4/c1-4-16(5-2)19-12-17(21)13-22-18-10-8-15(9-11-18)7-6-14(3)20;3-1(4)2(5)6/h8-11,16-17,19,21H,4-7,12-13H2,1-3H3;(H,3,4)(H,5,6)


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