[5-(4-dimethylaminophenyl)-2-(3-fluoranyl-4-phenylmethoxy-phenyl)-3,6-dimethoxy-phenyl] methanesulfonate

Systemtic Name: [5-(4-dimethylaminophenyl)-2-(3-fluoranyl-4-phenylmethoxy-phenyl)-3,6-dimethoxy-phenyl] methanesulfonate Openeye Name: [2-(4-benzyloxy-3-fluoro-phenyl)-5-(4-dimethylaminophenyl)-3,6-dimethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] ester IUPAC Name: [5-(4-dimethylaminophenyl)-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-benzoxy-3-fluoro-phenyl)-5-(4-dimethylaminophenyl)-3,6-dimethoxy-phenyl] ester Formula: C30H30FNO6S MolecularWeight: 551.625703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F)OC

InChI

InChI=1S/C30H30FNO6S/c1-32(2)23-14-11-21(12-15-23)24-18-27(35-3)28(30(29(24)36-4)38-39(5,33)34)22-13-16-26(25(31)17-22)37-19-20-9-7-6-8-10-20/h6-18H,19H2,1-5H3