ethanedioic acid; 1-[4-[4-(methylamino)butoxy]phenyl]propan-1-one

Systemtic Name: ethanedioic acid; 1-[4-[4-(methylamino)butoxy]phenyl]propan-1-one Openeye Name: 1-[4-[4-(methylamino)butoxy]phenyl]propan-1-one; oxalic acid CAS Name: 1-[4-[4-(methylamino)butoxy]phenyl]-1-propanone; oxalic acid IUPAC Name: 1-[4-[4-(methylamino)butoxy]phenyl]propan-1-one; oxalic acid Traditional Name: 1-[4-[4-(methylamino)butoxy]phenyl]propan-1-one; oxalic acid Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCCCCNC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCCCCNC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO2.C2H2O4/c1-3-14(16)12-6-8-13(9-7-12)17-11-5-4-10-15-2;3-1(4)2(5)6/h6-9,15H,3-5,10-11H2,1-2H3;(H,3,4)(H,5,6)