methyl 4-[(2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[(2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[(2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC[C@H](CC)CN1[C@H](C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H29NO5/c1-5-7-8-15(6-2)13-23-19(18(14(3)24)20(25)21(23)26)16-9-11-17(12-10-16)22(27)28-4/h9-12,15,19,25H,5-8,13H2,1-4H3/t15-,19-/m0/s1