ethanedioic acid; [4-[2-oxidanyl-3-(propylamino)propoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[2-oxidanyl-3-(propylamino)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNCC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO3.C2H2O4/c1-2-12-20-13-17(21)14-23-18-10-8-16(9-11-18)19(22)15-6-4-3-5-7-15;3-1(4)2(5)6/h3-11,17,20-21H,2,12-14H2,1H3;(H,3,4)(H,5,6)