[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl] ester IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O7/c1-27-17-9-13(10-18(28-2)19(17)29-3)21(26)30-12-16(24)14-8-15(22-11-14)20(25)23-6-4-5-7-23/h8-11,22H,4-7,12H2,1-3H3