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

Systemtic Name: tert-butyl N-[5-methyl-2-[[methyl(2-pyridin-3-ylethyl)carbamoyl]-phenethyl-amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-2-[[methyl-[2-(3-pyridyl)ethyl]carbamoyl]-phenethyl-amino]-4-oxo-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-2-[[[methyl-[2-(3-pyridinyl)ethyl]amino]-oxomethyl]-phenethylamino]-4-oxo-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-2-[[methyl(2-pyridin-3-ylethyl)carbamoyl]-phenethylamino]-4-oxo-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[[methyl-[2-(3-pyridyl)ethyl]carbamoyl]-phenethyl-amino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C31H35N5O5 MolecularWeight: 557.6401

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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)N(C)CCC4=CN=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N(CCC3=CC=CC=C3)C(=O)N(C)CCC4=CN=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H35N5O5/c1-21-24(34-29(38)41-31(2,3)4)13-14-25-26(21)27(37)40-28(33-25)36(19-16-22-10-7-6-8-11-22)30(39)35(5)18-15-23-12-9-17-32-20-23/h6-14,17,20H,15-16,18-19H2,1-5H3,(H,34,38)