(2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(4-methylphenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(4-methylphenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-1-[(2S)-2-ethylhexyl]-3-hydroxy-5-(p-tolyl)-3-pyrrolin-2-one Formula: C21H29NO3 MolecularWeight: 343.45986

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-5-7-8-16(6-2)13-22-19(17-11-9-14(3)10-12-17)18(15(4)23)20(24)21(22)25/h9-12,16,19,24H,5-8,13H2,1-4H3/t16-,19-/m0/s1