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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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