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

Systemtic Name: ethanedioic acid; [4-[4-(2-oxidanylpropylamino)butoxy]phenyl]-phenyl-methanone Openeye Name: [4-[4-(2-hydroxypropylamino)butoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[4-(2-hydroxypropylamino)butoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[4-(2-hydroxypropylamino)butoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[4-(2-hydroxypropylamino)butoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO3.C2H2O4/c1-16(22)15-21-13-5-6-14-24-19-11-9-18(10-12-19)20(23)17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-12,16,21-22H,5-6,13-15H2,1H3;(H,3,4)(H,5,6)