[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H26FNO6 MolecularWeight: 419.443343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H26FNO6/c1-4-27-18-11-16(12-19(28-5-2)21(18)29-6-3)22(26)30-14-20(25)24-13-15-7-9-17(23)10-8-15/h7-12H,4-6,13-14H2,1-3H3,(H,24,25)