tert-butyl N-[5-methyl-4-oxidanylidene-2-[phenethyl(pyridin-2-ylmethylcarbamoyl)amino]-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[phenethyl(pyridin-2-ylmethylcarbamoyl)amino]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-4-oxo-2-[phenethyl(2-pyridylmethylcarbamoyl)amino]-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[[oxo-(2-pyridinylmethylamino)methyl]-phenethylamino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-4-oxo-2-[phenethyl(pyridin-2-ylmethylcarbamoyl)amino]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[phenethyl(2-pyridylmethylcarbamoyl)amino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N(CCC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N(CCC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H31N5O5/c1-19-22(33-28(37)39-29(2,3)4)13-14-23-24(19)25(35)38-27(32-23)34(17-15-20-10-6-5-7-11-20)26(36)31-18-21-12-8-9-16-30-21/h5-14,16H,15,17-18H2,1-4H3,(H,31,36)(H,33,37)