methyl 3-[(4-fluorophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(4-fluorophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-fluorobenzoyl)amino]benzoate CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-fluorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-fluorobenzoyl)amino]benzoic acid methyl ester Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O3/c1-33-26(32)21-9-12-24(23(17-21)28-25(31)20-7-10-22(27)11-8-20)30-15-13-29(14-16-30)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,28,31)