methyl 3-[[1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[(5-keto-1-p-phenetyl-pyrrolidine-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C21H21FN2O5/c1-3-29-16-7-5-15(6-8-16)24-12-14(11-19(24)25)20(26)23-18-10-13(21(27)28-2)4-9-17(18)22/h4-10,14H,3,11-12H2,1-2H3,(H,23,26)