ethyl 4-[[3-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methylamino]phenyl]carbonylamino]benzoate hydrate

Systemtic Name: ethyl 4-[[3-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methylamino]phenyl]carbonylamino]benzoate hydrate Openeye Name: ethyl 4-[[3-[(2-oxo-1,3-benzoxazol-3-yl)methylamino]benzoyl]amino]benzoate hydrate CAS Name: 4-[[oxo-[3-[(2-oxo-1,3-benzoxazol-3-yl)methylamino]phenyl]methyl]amino]benzoic acid ethyl ester hydrate IUPAC Name: ethyl 4-[[3-[(2-oxo-1,3-benzoxazol-3-yl)methylamino]benzoyl]amino]benzoate hydrate Traditional Name: 4-[[3-[(2-keto-1,3-benzoxazol-3-yl)methylamino]benzoyl]amino]benzoic acid ethyl ester hydrate Formula: C24H23N3O6 MolecularWeight: 449.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4OC3=O.O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4OC3=O.O

InChI

InChI=1S/C24H21N3O5.H2O/c1-2-31-23(29)16-10-12-18(13-11-16)26-22(28)17-6-5-7-19(14-17)25-15-27-20-8-3-4-9-21(20)32-24(27)30;/h3-14,25H,2,15H2,1H3,(H,26,28);1H2