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

Systemtic Name: ethanedioic acid; 7-methoxy-2-methyl-3-[4-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]isoquinolin-1-one Openeye Name: 3-[4-[3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one; oxalic acid CAS Name: 3-[4-[3-[(2-hydroxy-2-phenylethyl)amino]propoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone; oxalic acid IUPAC Name: 3-[4-[3-[(2-hydroxy-2-phenylethyl)amino]propoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one; oxalic acid Traditional Name: 3-[4-[3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril; oxalic acid Formula: C30H32N2O8 MolecularWeight: 548.58368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OCCCNCC(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OCCCNCC(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H30N2O4.C2H2O4/c1-30-26(17-22-11-14-24(33-2)18-25(22)28(30)32)20-9-12-23(13-10-20)34-16-6-15-29-19-27(31)21-7-4-3-5-8-21;3-1(4)2(5)6/h3-5,7-14,17-18,27,29,31H,6,15-16,19H2,1-2H3;(H,3,4)(H,5,6)