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

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-1-phenethyl-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-2-(4-isopropylphenyl)-4,5-dioxo-1-phenethyl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-4,5-dioxo-1-phenethyl-2-(4-propan-2-ylphenyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-4,5-dioxo-1-phenethyl-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-2-p-cumenyl-1-phenethyl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C28H26NO3- MolecularWeight: 424.51094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H]2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO3/c1-19(2)21-13-15-22(16-14-21)25-24(26(30)23-11-7-4-8-12-23)27(31)28(32)29(25)18-17-20-9-5-3-6-10-20/h3-16,19,25,30H,17-18H2,1-2H3/p-1/t25-/m0/s1