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

Systemtic Name: pyridin-3-ylmethyl N-[[(2-aminophenyl)-(phenylcarbonyl)amino]methyl]carbamate ethanoate Openeye Name: 3-pyridylmethyl N-[(2-amino-N-benzoyl-anilino)methyl]carbamate acetate CAS Name: N-[(2-amino-N-benzoylanilino)methyl]carbamic acid 3-pyridinylmethyl ester acetate IUPAC Name: pyridin-3-ylmethyl N-[(2-amino-N-benzoylanilino)methyl]carbamate acetate Traditional Name: N-[(2-amino-N-benzoyl-anilino)methyl]carbamic acid 3-pyridylmethyl ester acetate Formula: C23H23N4O5- MolecularWeight: 435.45252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3.C2H4O2/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;1-2(3)4/h1-13H,14-15,22H2,(H,24,27);1H3,(H,3,4)/p-1