ethyl 3-[[2,5-bis(iodanyl)phenyl]carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[[2,5-bis(iodanyl)phenyl]carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(2,5-diiodobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(2,5-diiodophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-diiodobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(2,5-diiodobenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C22H25I2N3O3 MolecularWeight: 633.26114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25I2N3O3/c1-3-26-9-11-27(12-10-26)20-8-5-15(22(29)30-4-2)13-19(20)25-21(28)17-14-16(23)6-7-18(17)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,28)