ethanedioic acid; 7-methoxy-3,3-dimethyl-5-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]propoxy]-4H-isochromen-1-one

Systemtic Name: ethanedioic acid; 7-methoxy-3,3-dimethyl-5-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]propoxy]-4H-isochromen-1-one Openeye Name: 5-[2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propoxy]-7-methoxy-3,3-dimethyl-isochroman-1-one; oxalic acid CAS Name: 5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]-7-methoxy-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one; oxalic acid IUPAC Name: 5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]-7-methoxy-3,3-dimethyl-4H-isochromen-1-one; oxalic acid Traditional Name: 5-[2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propoxy]-7-methoxy-3,3-dimethyl-isochroman-1-one; oxalic acid Formula: C21H31NO9 MolecularWeight: 441.47214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C2CC(OC(=O)C2=CC(=C1)OC)(C)C)NC(C)(C)CO.C(=O)(C(=O)O)O

Isomeric SMILES

CC(COC1=C2CC(OC(=O)C2=CC(=C1)OC)(C)C)NC(C)(C)CO.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO5.C2H2O4/c1-12(20-18(2,3)11-21)10-24-16-8-13(23-6)7-14-15(16)9-19(4,5)25-17(14)22;3-1(4)2(5)6/h7-8,12,20-21H,9-11H2,1-6H3;(H,3,4)(H,5,6)