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

Systemtic Name: tert-butyl N-[5-methyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]-(3-phenylpropyl)amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-2-[[methyl-[2-(2-pyridyl)ethyl]carbamoyl]-(3-phenylpropyl)amino]-4-oxo-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-2-[[[methyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]-(3-phenylpropyl)amino]-4-oxo-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]-(3-phenylpropyl)amino]-4-oxo-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[[methyl-[2-(2-pyridyl)ethyl]carbamoyl]-(3-phenylpropyl)amino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C32H37N5O5 MolecularWeight: 571.66668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N(CCCC3=CC=CC=C3)C(=O)N(C)CCC4=CC=CC=N4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N(CCCC3=CC=CC=C3)C(=O)N(C)CCC4=CC=CC=N4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H37N5O5/c1-22-25(35-30(39)42-32(2,3)4)16-17-26-27(22)28(38)41-29(34-26)37(20-11-14-23-12-7-6-8-13-23)31(40)36(5)21-18-24-15-9-10-19-33-24/h6-10,12-13,15-17,19H,11,14,18,20-21H2,1-5H3,(H,35,39)