ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-iodophenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-iodophenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-iodobenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(4-iodophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-iodobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(4-iodobenzoyl)amino]benzoic acid ethyl ester Formula: C22H26IN3O3 MolecularWeight: 507.36461

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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(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C22H26IN3O3/c1-3-25-11-13-26(14-12-25)20-10-7-17(22(28)29-4-2)15-19(20)24-21(27)16-5-8-18(23)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)