ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C22H27NO9 MolecularWeight: 449.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNCC(C2=CC=CC=C2)O)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CNCC(C2=CC=CC=C2)O)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO5.C2H2O4/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15;3-1(4)2(5)6/h3-10,17-18,21,23-24H,11-13H2,1-2H3;(H,3,4)(H,5,6)