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

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

InChI

InChI=1S/C23H20N2O5/c1-27-20-10-7-17(13-22(20)28-2)21-14-18(24-30-21)15-29-23(26)16-5-8-19(9-6-16)25-11-3-4-12-25/h3-14H,15H2,1-2H3