2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid

Systemtic Name: 2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]chroman-7-ol; oxalic acid CAS Name: 2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[[3-(1,3-benzoxazol-5-yloxy)propylamino]methyl]chroman-7-ol; oxalic acid Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=CC4=C(C=C3)OC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=CC4=C(C=C3)OC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O4.C2H2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19;3-1(4)2(5)6/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2;(H,3,4)(H,5,6)