ethyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-bromofuran-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-furoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H24BrN3O4/c1-3-23-9-11-24(12-10-23)16-6-5-14(20(26)27-4-2)13-15(16)22-19(25)17-7-8-18(21)28-17/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,25)