tert-butyl N-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[tert-butoxycarbonyl-[(3-chlorophenyl)methyl]amino]methyl]phenyl]methyl]carbamate CAS Name: N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[3-[[(3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[3-[[tert-butoxycarbonyl-(3-chlorobenzyl)amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C35H43ClN4O5 MolecularWeight: 635.19272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CN(CC3=CC(=CC=C3)CN(CC4=CC(=CC=C4)Cl)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CN(CC3=CC(=CC=C3)CN(CC4=CC(=CC=C4)Cl)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C35H43ClN4O5/c1-23-31(37)38-29-18-27(14-15-30(29)43-23)22-40(33(42)45-35(5,6)7)20-25-11-8-10-24(16-25)19-39(32(41)44-34(2,3)4)21-26-12-9-13-28(36)17-26/h8-18,23H,19-22H2,1-7H3,(H2,37,38)