methyl 4-[[3-[2-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[2-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[2-(2-furylmethyl)-5-oxo-pyrrolidin-2-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[2-(2-furanylmethyl)-5-oxo-2-pyrrolidinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[2-(2-furfuryl)-5-keto-pyrrolidin-2-yl]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2(CCC(=O)N2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2(CCC(=O)N2)CC3=CC=CO3

InChI

InChI=1S/C21H24N2O5/c1-27-20(26)16-6-4-15(5-7-16)14-22-18(24)8-10-21(11-9-19(25)23-21)13-17-3-2-12-28-17/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)(H,23,25)