[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C21H24IN3O3 MolecularWeight: 493.33803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24IN3O3/c1-2-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-20(26)15-28-21(27)16-3-5-17(22)6-4-16/h3-10H,2,11-15H2,1H3,(H,23,26)