(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C(C)C)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C(C)C)N3C=CC=C3

InChI

InChI=1S/C18H19N3O3/c1-12(2)17-19-16(24-20-17)11-23-18(22)14-7-6-13(3)15(10-14)21-8-4-5-9-21/h4-10,12H,11H2,1-3H3