methyl 4-[5-(1,3-benzodioxol-5-yl)-4-(phenylcarbonyl)-1,2-oxazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-(1,3-benzodioxol-5-yl)-4-(phenylcarbonyl)-1,2-oxazol-3-yl]benzoate Openeye Name: methyl 4-[5-(1,3-benzodioxol-5-yl)-4-benzoyl-isoxazol-3-yl]benzoate CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-4-benzoyl-3-isoxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1,3-benzodioxol-5-yl)-4-benzoyl-1,2-oxazol-3-yl]benzoate Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-4-benzoyl-isoxazol-3-yl]benzoic acid methyl ester Formula: C25H17NO6 MolecularWeight: 427.40558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(=C2C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(=C2C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H17NO6/c1-29-25(28)17-9-7-15(8-10-17)22-21(23(27)16-5-3-2-4-6-16)24(32-26-22)18-11-12-19-20(13-18)31-14-30-19/h2-13H,14H2,1H3