butyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C29H31F2N3O3 MolecularWeight: 507.571546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31F2N3O3/c1-2-3-20-37-28(35)25-6-4-5-7-26(25)32-29(36)34-18-16-33(17-19-34)27(21-8-12-23(30)13-9-21)22-10-14-24(31)15-11-22/h4-15,27H,2-3,16-20H2,1H3,(H,32,36)