1,3-benzodioxol-5-yl-[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]methanolate

Systemtic Name: 1,3-benzodioxol-5-yl-[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]methanolate Openeye Name: 1,3-benzodioxol-5-yl-[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]methanolate CAS Name: 1,3-benzodioxol-5-yl-[(2S)-1-[3-(1-imidazolyl)propyl]-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]methanolate IUPAC Name: 1,3-benzodioxol-5-yl-[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate Traditional Name: 1,3-benzodioxol-5-yl-[(2S)-1-(3-imidazol-1-ylpropyl)-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]methanolate Formula: C24H20N3O5- MolecularWeight: 430.4327

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=C3[C@@H](N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C24H21N3O5/c28-22(17-7-8-18-19(13-17)32-15-31-18)20-21(16-5-2-1-3-6-16)27(24(30)23(20)29)11-4-10-26-12-9-25-14-26/h1-3,5-9,12-14,21,28H,4,10-11,15H2/p-1/t21-/m0/s1