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

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C20H22FNO4 MolecularWeight: 359.391383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C20H22FNO4/c1-3-4-5-14-6-9-16(10-7-14)22-19(23)13-26-20(24)15-8-11-18(25-2)17(21)12-15/h6-12H,3-5,13H2,1-2H3,(H,22,23)