ethanedioic acid; 2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol

Systemtic Name: ethanedioic acid; 2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol Openeye Name: 2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol; oxalic acid CAS Name: 2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol; oxalic acid IUPAC Name: 2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol; oxalic acid Traditional Name: 2-[2-[4-(methylamino)butoxy]benzyl]phenol; oxalic acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO2.C2H2O4/c1-19-12-6-7-13-21-18-11-5-3-9-16(18)14-15-8-2-4-10-17(15)20;3-1(4)2(5)6/h2-5,8-11,19-20H,6-7,12-14H2,1H3;(H,3,4)(H,5,6)