ethyl 4-[3-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(2-acetyl-3-oxo-but-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(2-acetyl-3-oxobut-1-enyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-acetyl-3-oxobut-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-acetyl-3-keto-but-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C(=O)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C(=O)C)C(=O)C)C

InChI

InChI=1S/C21H23NO4/c1-6-26-21(25)17-7-9-19(10-8-17)22-13(2)11-18(14(22)3)12-20(15(4)23)16(5)24/h7-12H,6H2,1-5H3