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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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