[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C

InChI

InChI=1S/C20H20N2O4/c1-12-6-5-7-16(8-12)20(24)25-11-18(23)17-9-13(2)22(15(17)4)19-10-14(3)26-21-19/h5-10H,11H2,1-4H3