(phenylmethyl) 3-[(4-tert-butylphenyl)carbonylamino]-4-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]carbonylamino]benzoate

Systemtic Name: (phenylmethyl) 3-[(4-tert-butylphenyl)carbonylamino]-4-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]carbonylamino]benzoate Openeye Name: benzyl 3-[(4-tert-butylbenzoyl)amino]-4-[[3-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-[(E)-amino(hydroxyimino)methyl]phenyl]-oxomethyl]amino]-3-[[(4-tert-butylphenyl)-oxomethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-tert-butylbenzoyl)amino]-4-[[3-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(E)-aminocarbohydroximoyl]benzoyl]amino]-3-[(4-tert-butylbenzoyl)amino]benzoic acid benzyl ester Formula: C33H32N4O5 MolecularWeight: 564.63098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=NO)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)/C(=N\O)/N

InChI

InChI=1S/C33H32N4O5/c1-33(2,3)26-15-12-22(13-16-26)30(38)36-28-19-25(32(40)42-20-21-8-5-4-6-9-21)14-17-27(28)35-31(39)24-11-7-10-23(18-24)29(34)37-41/h4-19,41H,20H2,1-3H3,(H2,34,37)(H,35,39)(H,36,38)