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

Systemtic Name: [(2S)-2-(3,4-dimethoxyphenyl)-1-hexyl-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-2-(3,4-dimethoxyphenyl)-1-hexyl-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-2-(3,4-dimethoxyphenyl)-1-hexyl-4,5-dioxo-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-2-(3,4-dimethoxyphenyl)-1-hexyl-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-2-(3,4-dimethoxyphenyl)-1-hexyl-4,5-diketo-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C25H28NO5- MolecularWeight: 422.49352

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-4-5-6-10-15-26-22(18-13-14-19(30-2)20(16-18)31-3)21(24(28)25(26)29)23(27)17-11-8-7-9-12-17/h7-9,11-14,16,22,27H,4-6,10,15H2,1-3H3/p-1/t22-/m0/s1