ethanedioic acid; [4-[2-(2-oxidanylpropylamino)ethoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[2-(2-oxidanylpropylamino)ethoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-(2-hydroxypropylamino)ethoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-(2-hydroxypropylamino)ethoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-(2-hydroxypropylamino)ethoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[2-(2-hydroxypropylamino)ethoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO3.C2H2O4/c1-14(20)13-19-11-12-22-17-9-7-16(8-10-17)18(21)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-10,14,19-20H,11-13H2,1H3;(H,3,4)(H,5,6)