tert-butyl N-[1-(5-isoquinolin-6-ylpyridin-3-yl)oxy-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(5-isoquinolin-6-ylpyridin-3-yl)oxy-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(hydroxymethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl]carbamate CAS Name: N-[1-hydroxy-3-[[5-(6-isoquinolinyl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hydroxy-3-(5-isoquinolin-6-ylpyridin-3-yl)oxypropan-2-yl]carbamate Traditional Name: N-[2-hydroxy-1-[[5-(6-isoquinolyl)-3-pyridyl]oxymethyl]ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CO)COC1=CN=CC(=C1)C2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CO)COC1=CN=CC(=C1)C2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25-19(13-26)14-28-20-9-18(11-24-12-20)15-4-5-17-10-23-7-6-16(17)8-15/h4-12,19,26H,13-14H2,1-3H3,(H,25,27)