[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C

InChI

InChI=1S/C23H26N2O5/c1-5-6-11-28-19-9-7-18(8-10-19)23(27)29-14-21(26)20-12-15(2)25(17(20)4)22-13-16(3)30-24-22/h7-10,12-13H,5-6,11,14H2,1-4H3