(3-fluoranyl-4-prop-2-enoxycarbonyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: (3-fluoranyl-4-prop-2-enoxycarbonyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-allyloxycarbonyl-3-fluoro-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid [3-fluoro-4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (3-fluoro-4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-allyloxycarbonyl-3-fluoro-phenyl) ester Formula: C28H29FO5 MolecularWeight: 464.525263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCC=C)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCC=C)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H29FO5/c1-3-8-33-27(31)22-6-5-21(13-24(22)29)34-26(30)20-4-7-25(32-2)23(12-20)28-14-17-9-18(15-28)11-19(10-17)16-28/h3-7,12-13,17-19H,1,8-11,14-16H2,2H3