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

Systemtic Name: ethanedioic acid; 7-methoxy-2-methyl-3-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]isoquinolin-1-one Openeye Name: 3-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one; oxalic acid CAS Name: 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone; oxalic acid IUPAC Name: 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one; oxalic acid Traditional Name: 3-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril; oxalic acid Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O4.C2H2O4/c1-15(2)24-13-17(26)14-29-22-8-6-5-7-19(22)21-11-16-9-10-18(28-4)12-20(16)23(27)25(21)3;3-1(4)2(5)6/h5-12,15,17,24,26H,13-14H2,1-4H3;(H,3,4)(H,5,6)