tert-butyl N-[[3-chloranyl-5-(prop-2-enoxycarbonylamino)phenyl]methyl]-N-[4-morpholin-4-yl-6-(oxan-2-yloxymethyl)pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[[3-chloranyl-5-(prop-2-enoxycarbonylamino)phenyl]methyl]-N-[4-morpholin-4-yl-6-(oxan-2-yloxymethyl)pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[[3-(allyloxycarbonylamino)-5-chloro-phenyl]methyl]-N-[4-morpholino-6-(tetrahydropyran-2-yloxymethyl)-2-pyridyl]carbamate CAS Name: N-[[3-chloro-5-[[oxo(prop-2-enoxy)methyl]amino]phenyl]methyl]-N-[4-(4-morpholinyl)-6-(2-oxanyloxymethyl)-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-chloro-5-(prop-2-enoxycarbonylamino)phenyl]methyl]-N-[4-morpholin-4-yl-6-(oxan-2-yloxymethyl)pyridin-2-yl]carbamate Traditional Name: N-[3-(allyloxycarbonylamino)-5-chloro-benzyl]-N-[4-morpholino-6-(tetrahydropyran-2-yloxymethyl)-2-pyridyl]carbamic acid tert-butyl ester Formula: C31H41ClN4O7 MolecularWeight: 617.13284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC(=CC(=C1)Cl)NC(=O)OCC=C)C2=CC(=CC(=N2)COC3CCCCO3)N4CCOCC4

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC(=CC(=C1)Cl)NC(=O)OCC=C)C2=CC(=CC(=N2)COC3CCCCO3)N4CCOCC4

InChI

InChI=1S/C31H41ClN4O7/c1-5-11-41-29(37)34-24-16-22(15-23(32)17-24)20-36(30(38)43-31(2,3)4)27-19-26(35-9-13-39-14-10-35)18-25(33-27)21-42-28-8-6-7-12-40-28/h5,15-19,28H,1,6-14,20-21H2,2-4H3,(H,34,37)