4-[(2S)-3-[[(2S)-1-(2-methoxyphenoxy)propan-2-yl]amino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one

Systemtic Name: 4-[(2S)-3-[[(2S)-1-(2-methoxyphenoxy)propan-2-yl]amino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[(2S)-2-hydroxy-3-[[(1S)-2-(2-methoxyphenoxy)-1-methyl-ethyl]amino]propoxy]-2H-isoquinolin-1-one CAS Name: 4-[(2S)-2-hydroxy-3-[[(2S)-1-(2-methoxyphenoxy)propan-2-yl]amino]propoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[(2S)-2-hydroxy-3-[[(2S)-1-(2-methoxyphenoxy)propan-2-yl]amino]propoxy]-2H-isoquinolin-1-one Traditional Name: 4-[(2S)-2-hydroxy-3-[[(1S)-2-(2-methoxyphenoxy)-1-methyl-ethyl]amino]propoxy]isocarbostyril Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1OC)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

Isomeric SMILES

C[C@@H](COC1=CC=CC=C1OC)NC[C@@H](COC2=CNC(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C22H26N2O5/c1-15(13-28-20-10-6-5-9-19(20)27-2)23-11-16(25)14-29-21-12-24-22(26)18-8-4-3-7-17(18)21/h3-10,12,15-16,23,25H,11,13-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1