4-[2-oxidanyl-3-[1-(4-phenylmethoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one

Systemtic Name: 4-[2-oxidanyl-3-[1-(4-phenylmethoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[3-[[2-(4-benzyloxyphenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]-2H-isoquinolin-1-one CAS Name: 4-[2-hydroxy-3-[1-(4-phenylmethoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[2-hydroxy-3-[1-(4-phenylmethoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one Traditional Name: 4-[3-[[2-(4-benzoxyphenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]isocarbostyril Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(COC3=CNC(=O)C4=CC=CC=C43)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(COC3=CNC(=O)C4=CC=CC=C43)O

InChI

InChI=1S/C28H30N2O5/c1-20(17-33-23-11-13-24(14-12-23)34-18-21-7-3-2-4-8-21)29-15-22(31)19-35-27-16-30-28(32)26-10-6-5-9-25(26)27/h2-14,16,20,22,29,31H,15,17-19H2,1H3,(H,30,32)