[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic 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] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O5/c1-15(2)28-13-16-5-7-17(8-6-16)22(27)29-14-20(25)18-11-19(23-12-18)21(26)24-9-3-4-10-24/h5-8,11-12,15,23H,3-4,9-10,13-14H2,1-2H3