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

Systemtic Name: tert-butyl N-[1-(5-isoquinolin-6-ylpyridin-3-yl)oxy-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzyloxymethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl]carbamate CAS Name: N-[1-[[5-(6-isoquinolinyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(5-isoquinolin-6-ylpyridin-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[1-(benzoxymethyl)-2-[[5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl]carbamic acid tert-butyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)COC2=CN=CC(=C2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)COC2=CN=CC(=C2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C29H31N3O4/c1-29(2,3)36-28(33)32-26(19-34-18-21-7-5-4-6-8-21)20-35-27-14-25(16-31-17-27)22-9-10-24-15-30-12-11-23(24)13-22/h4-17,26H,18-20H2,1-3H3,(H,32,33)