pyridin-3-ylmethyl N-[[(2-aminophenyl)-(phenylcarbonyl)amino]methyl]carbamate phosphate

Systemtic Name: pyridin-3-ylmethyl N-[[(2-aminophenyl)-(phenylcarbonyl)amino]methyl]carbamate phosphate Openeye Name: 3-pyridylmethyl N-[(2-amino-N-benzoyl-anilino)methyl]carbamate phosphate CAS Name: N-[(2-amino-N-benzoylanilino)methyl]carbamic acid 3-pyridinylmethyl ester phosphate IUPAC Name: pyridin-3-ylmethyl N-[(2-amino-N-benzoylanilino)methyl]carbamate phosphate Traditional Name: N-[(2-amino-N-benzoyl-anilino)methyl]carbamic acid 3-pyridylmethyl ester phosphate Formula: C21H20N4O7P-3 MolecularWeight: 471.379861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CNC(=O)OCC2=CN=CC=C2)C3=CC=CC=C3N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CNC(=O)OCC2=CN=CC=C2)C3=CC=CC=C3N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C21H20N4O3.H3O4P/c22-18-10-4-5-11-19(18)25(20(26)17-8-2-1-3-9-17)15-24-21(27)28-14-16-7-6-12-23-13-16;1-5(2,3)4/h1-13H,14-15,22H2,(H,24,27);(H3,1,2,3,4)/p-3