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

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

CCN(C1=CC=CC=N1)C(=O)N(CCCC2=CC=CC=C2)C3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3

Isomeric SMILES

CCN(C1=CC=CC=N1)C(=O)N(CCCC2=CC=CC=C2)C3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3

InChI

InChI=1S/C31H35N5O5/c1-6-35(25-16-10-11-19-32-25)30(39)36(20-12-15-22-13-8-7-9-14-22)28-33-24-18-17-23(21(2)26(24)27(37)40-28)34-29(38)41-31(3,4)5/h7-11,13-14,16-19H,6,12,15,20H2,1-5H3,(H,34,38)