diethyl 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioate

Systemtic Name: diethyl 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioate Openeye Name: diethyl 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioate CAS Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioate Traditional Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]malonic acid diethyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)C(=O)OCC

InChI

InChI=1S/C27H25NO6/c1-3-31-26(29)22(27(30)32-4-2)17-33-21-15-13-19(14-16-21)18-9-11-20(12-10-18)25-28-23-7-5-6-8-24(23)34-25/h5-16,22H,3-4,17H2,1-2H3