[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O3/c1-3-25-10-12-26(13-11-25)19-8-6-18(7-9-19)24-21(27)15-29-22(28)17-5-4-16(2)20(23)14-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)