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

Systemtic Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoate CAS Name: 3-[[(4-ethylanilino)-oxomethyl]amino]-4-[4-(4-fluorophenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoate Traditional Name: 3-[(4-ethylphenyl)carbamoylamino]-4-[4-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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