[(2S)-1-hexyl-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-(4-methylphenyl)methanolate

Systemtic Name: [(2S)-1-hexyl-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Openeye Name: [(2S)-1-hexyl-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-(p-tolyl)methanolate CAS Name: [(2S)-1-hexyl-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]-(4-methylphenyl)methanolate IUPAC Name: [(2S)-1-hexyl-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Traditional Name: [(2S)-1-hexyl-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]-(p-tolyl)methanolate Formula: C24H26NO3- MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=C(C2=CC=C(C=C2)C)[O-])C(=O)C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN1[C@H](C(=C(C2=CC=C(C=C2)C)[O-])C(=O)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO3/c1-3-4-5-9-16-25-21(18-10-7-6-8-11-18)20(23(27)24(25)28)22(26)19-14-12-17(2)13-15-19/h6-8,10-15,21,26H,3-5,9,16H2,1-2H3/p-1/t21-/m0/s1