methyl 4-[[[3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-29-22(28)17-6-4-15(5-7-17)14-23-20(27)21-24-19(25-30-21)16-8-10-18(11-9-16)26-12-2-3-13-26/h2-13H,14H2,1H3,(H,23,27)