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

Systemtic Name: [(2S)-1-hexyl-4,5-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-hexyl-2-(4-isopropylphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-1-hexyl-4,5-dioxo-2-(4-propan-2-ylphenyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-1-hexyl-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-hexyl-4,5-diketo-2-p-cumenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C26H30NO3- MolecularWeight: 404.5213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3/c1-4-5-6-10-17-27-23(20-15-13-19(14-16-20)18(2)3)22(25(29)26(27)30)24(28)21-11-8-7-9-12-21/h7-9,11-16,18,23,28H,4-6,10,17H2,1-3H3/p-1/t23-/m0/s1