ethanedioic acid; 1-[4-[2-oxidanyl-3-(pentan-2-ylamino)propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[2-oxidanyl-3-(pentan-2-ylamino)propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-(1-methylbutylamino)propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(pentan-2-ylamino)propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-(pentan-2-ylamino)propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(1-methylbutylamino)propoxy]phenyl]ethanone; oxalic acid Formula: C18H27NO7 MolecularWeight: 369.40948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3.C2H2O4/c1-4-5-12(2)17-10-15(19)11-20-16-8-6-14(7-9-16)13(3)18;3-1(4)2(5)6/h6-9,12,15,17,19H,4-5,10-11H2,1-3H3;(H,3,4)(H,5,6)