ethanedioic acid; 8-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3,4-dihydroisochromen-1-one

Systemtic Name: ethanedioic acid; 8-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3,4-dihydroisochromen-1-one Openeye Name: 8-[2-hydroxy-3-(isopropylamino)propoxy]isochroman-1-one; oxalic acid CAS Name: 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-2-benzopyran-1-one; oxalic acid IUPAC Name: 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydroisochromen-1-one; oxalic acid Traditional Name: 8-[2-hydroxy-3-(isopropylamino)propoxy]isochroman-1-one; oxalic acid Formula: C17H23NO8 MolecularWeight: 369.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C(=O)OCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C(=O)OCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21NO4.C2H2O4/c1-10(2)16-8-12(17)9-20-13-5-3-4-11-6-7-19-15(18)14(11)13;3-1(4)2(5)6/h3-5,10,12,16-17H,6-9H2,1-2H3;(H,3,4)(H,5,6)