ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate CAS Name: 3-[[(4-ethylanilino)-oxomethyl]amino]-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate Traditional Name: 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(2-fluorophenyl)piperazino]benzoic acid ethyl ester Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C28H31FN4O3/c1-3-20-9-12-22(13-10-20)30-28(35)31-24-19-21(27(34)36-4-2)11-14-26(24)33-17-15-32(16-18-33)25-8-6-5-7-23(25)29/h5-14,19H,3-4,15-18H2,1-2H3,(H2,30,31,35)