pyridin-3-yl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenylmethoxy-ethanoate dihydrate

Systemtic Name: pyridin-3-yl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenylmethoxy-ethanoate dihydrate Openeye Name: 3-pyridyl 2-benzyloxy-2-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]acetate dihydrate CAS Name: 2-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]-2-phenylmethoxyacetic acid 3-pyridinyl ester dihydrate IUPAC Name: pyridin-3-yl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-phenylmethoxyacetate dihydrate Traditional Name: 2-benzoxy-2-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]acetic acid 3-pyridyl ester dihydrate Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(C(=O)OC3=CN=CC=C3)OCC4=CC=CC=C4.O.O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(C(=O)OC3=CN=CC=C3)OCC4=CC=CC=C4.O.O

InChI

InChI=1S/C25H22N2O5.2H2O/c1-18-22(27-23(31-18)20-11-6-3-7-12-20)17-30-25(29-16-19-9-4-2-5-10-19)24(28)32-21-13-8-14-26-15-21;;/h2-15,25H,16-17H2,1H3;2*1H2