methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate

Systemtic Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Openeye Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(phenylcarbamoylamino)benzoic acid methyl ester Formula: C32H30F2N4O3 MolecularWeight: 556.602406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C32H30F2N4O3/c1-41-31(39)24-11-16-29(28(21-24)36-32(40)35-27-5-3-2-4-6-27)37-17-19-38(20-18-37)30(22-7-12-25(33)13-8-22)23-9-14-26(34)15-10-23/h2-16,21,30H,17-20H2,1H3,(H2,35,36,40)