[4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate

Systemtic Name: [4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate Openeye Name: [4-[2-[(3-fluoro-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-anilino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[2-[[(3-fluoro-4-methoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]cyclohexyl] ester IUPAC Name: [4-[2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]-4-nitroanilino]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[2-[(3-fluoro-4-methoxy-benzyl)carbamoyl]-4-nitro-anilino]cyclohexyl] ester Formula: C28H28FN3O6 MolecularWeight: 521.536823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C28H28FN3O6/c1-37-26-14-7-18(15-24(26)29)17-30-27(33)23-16-21(32(35)36)10-13-25(23)31-20-8-11-22(12-9-20)38-28(34)19-5-3-2-4-6-19/h2-7,10,13-16,20,22,31H,8-9,11-12,17H2,1H3,(H,30,33)