[(2S)-4,5-bis(oxidanylidene)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-1-(3-isopropoxypropyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-4,5-dioxo-1-(3-propan-2-yloxypropyl)-2-(3-pyridinyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-4,5-dioxo-1-(3-propan-2-yloxypropyl)-2-pyridin-3-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-1-(3-isopropoxypropyl)-4,5-diketo-2-(3-pyridyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C22H23N2O4- MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)OCCCN1[C@H](C(=C(C2=CC=CC=C2)[O-])C(=O)C1=O)C3=CN=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15(2)28-13-7-12-24-19(17-10-6-11-23-14-17)18(21(26)22(24)27)20(25)16-8-4-3-5-9-16/h3-6,8-11,14-15,19,25H,7,12-13H2,1-2H3/p-1/t19-/m0/s1