methyl 2-[2-(dimorpholin-4-ylphosphorylcarbamoyl)pyrrol-1-yl]benzoate

Systemtic Name: methyl 2-[2-(dimorpholin-4-ylphosphorylcarbamoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 2-[2-(dimorpholinophosphorylcarbamoyl)pyrrol-1-yl]benzoate CAS Name: 2-[2-[[bis(4-morpholinyl)phosphorylamino]-oxomethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(dimorpholin-4-ylphosphorylcarbamoyl)pyrrol-1-yl]benzoate Traditional Name: 2-[2-(dimorpholinophosphorylcarbamoyl)pyrrol-1-yl]benzoic acid methyl ester Formula: C21H27N4O6P MolecularWeight: 462.436041

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=CC=C2C(=O)NP(=O)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=CC=C2C(=O)NP(=O)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H27N4O6P/c1-29-21(27)17-5-2-3-6-18(17)25-8-4-7-19(25)20(26)22-32(28,23-9-13-30-14-10-23)24-11-15-31-16-12-24/h2-8H,9-16H2,1H3,(H,22,26,28)