[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C23H18N2O5/c26-23(16-3-6-19(7-4-16)25-9-1-2-10-25)29-15-18-14-21(30-24-18)17-5-8-20-22(13-17)28-12-11-27-20/h1-10,13-14H,11-12,15H2