ethanedioic acid; 7-methoxy-3-[4-methoxy-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-2-methyl-isoquinolin-1-one

Systemtic Name: ethanedioic acid; 7-methoxy-3-[4-methoxy-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-2-methyl-isoquinolin-1-one Openeye Name: 3-[2-[2-hydroxy-3-(isopropylamino)propoxy]-4-methoxy-phenyl]-7-methoxy-2-methyl-isoquinolin-1-one; oxalic acid CAS Name: 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-methoxyphenyl]-7-methoxy-2-methyl-1-isoquinolinone; oxalic acid IUPAC Name: 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-methoxyphenyl]-7-methoxy-2-methylisoquinolin-1-one; oxalic acid Traditional Name: 3-[2-[2-hydroxy-3-(isopropylamino)propoxy]-4-methoxy-phenyl]-7-methoxy-2-methyl-isocarbostyril; oxalic acid Formula: C26H32N2O9 MolecularWeight: 516.54028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C=CC(=C1)OC)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=C(C=CC(=C1)OC)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O5.C2H2O4/c1-15(2)25-13-17(27)14-31-23-12-19(30-5)8-9-20(23)22-10-16-6-7-18(29-4)11-21(16)24(28)26(22)3;3-1(4)2(5)6/h6-12,15,17,25,27H,13-14H2,1-5H3;(H,3,4)(H,5,6)