[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C25H24FNO4 MolecularWeight: 421.460763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)F

InChI

InChI=1S/C25H24FNO4/c1-30-23-13-12-21(16-22(23)26)25(29)31-18-24(28)27(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17-18H2,1H3