[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)F

InChI

InChI=1S/C21H17FN2O4/c1-27-20-8-7-14(11-17(20)22)21(26)28-13-19(25)16-12-24(10-4-9-23)18-6-3-2-5-15(16)18/h2-3,5-8,11-12H,4,10,13H2,1H3