[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H18BrFN2O5 MolecularWeight: 453.259023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H18BrFN2O5/c1-27-14-6-7-16(20)15(10-14)19(26)28-11-18(25)23(9-8-17(22)24)13-4-2-12(21)3-5-13/h2-7,10H,8-9,11H2,1H3,(H2,22,24)