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

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 3-benzamidobutanoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic 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-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)C1=CNC(=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)C1=CNC(=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-15(24-21(28)16-7-3-2-4-8-16)11-20(27)30-14-19(26)17-12-18(23-13-17)22(29)25-9-5-6-10-25/h2-4,7-8,12-13,15,23H,5-6,9-11,14H2,1H3,(H,24,28)