dimethyl 2-[[4-[2-[[2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]carbamoyl]cyclohexyl]phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-[2-[[2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]carbamoyl]cyclohexyl]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-[2-[[2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]carbamoyl]cyclohexyl]phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-[[[2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]-oxomethyl]cyclohexyl]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-[[2-amino-1-(4-fluorophenyl)-2-oxoethyl]carbamoyl]cyclohexyl]phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-[[2-amino-1-(4-fluorophenyl)-2-keto-ethyl]carbamoyl]cyclohexyl]benzyl]malonic acid dimethyl ester Formula: C27H31FN2O6 MolecularWeight: 498.543243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2CCCCC2C(=O)NC(C3=CC=C(C=C3)F)C(=O)N)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2CCCCC2C(=O)NC(C3=CC=C(C=C3)F)C(=O)N)C(=O)OC

InChI

InChI=1S/C27H31FN2O6/c1-35-26(33)22(27(34)36-2)15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25(32)30-23(24(29)31)18-11-13-19(28)14-12-18/h7-14,20-23H,3-6,15H2,1-2H3,(H2,29,31)(H,30,32)