ethanedioic acid; 2-[(3-quinolin-7-yloxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: ethanedioic acid; 2-[(3-quinolin-7-yloxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; 2-[[3-(7-quinolyloxy)propylamino]methyl]chroman-7-ol CAS Name: oxalic acid; 2-[[3-(7-quinolinyloxy)propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; 2-[(3-quinolin-7-yloxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: oxalic acid; 2-[[3-(7-quinolyloxy)propylamino]methyl]chroman-7-ol Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3.C2H2O4/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19;3-1(4)2(5)6/h1,3-5,7-8,11,13-14,20,23,25H,2,6,9-10,12,15H2;(H,3,4)(H,5,6)