methyl 5-[[1-(3-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[1-(3-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[1-(3-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-2-fluoro-benzoate CAS Name: 5-[[[1-(3-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorobenzoate Traditional Name: 5-[[1-(3-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H21FN2O4/c1-3-13-5-4-6-16(9-13)24-12-14(10-19(24)25)20(26)23-15-7-8-18(22)17(11-15)21(27)28-2/h4-9,11,14H,3,10,12H2,1-2H3,(H,23,26)