3-dimethoxyphosphoryloxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: 3-dimethoxyphosphoryloxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate Openeye Name: 3-dimethoxyphosphoryloxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-oxo-indoline-1-carboxylate CAS Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1-indolecarboxylic acid 3-dimethoxyphosphoryloxypropyl ester IUPAC Name: 3-dimethoxyphosphoryloxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate Traditional Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-keto-indoline-1-carboxylic acid 3-dimethoxyphosphoryloxypropyl ester Formula: C21H25N2O7P MolecularWeight: 448.406161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=C2C3=CC=CC=C3N(C2=O)C(=O)OCCCOP(=O)(OC)OC)C

Isomeric SMILES

CC1=CC(=C(N1)/C=C/2\C3=CC=CC=C3N(C2=O)C(=O)OCCCOP(=O)(OC)OC)C

InChI

InChI=1S/C21H25N2O7P/c1-14-12-15(2)22-18(14)13-17-16-8-5-6-9-19(16)23(20(17)24)21(25)29-10-7-11-30-31(26,27-3)28-4/h5-6,8-9,12-13,22H,7,10-11H2,1-4H3/b17-13+