(4-prop-2-enoxycarbonylphenyl) 5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoate

Systemtic Name: (4-prop-2-enoxycarbonylphenyl) 5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoate Openeye Name: (4-allyloxycarbonylphenyl) 5-(1-adamantyl)-2-fluoro-4-methoxy-benzoate CAS Name: 5-(1-adamantyl)-2-fluoro-4-methoxybenzoic acid [4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (4-prop-2-enoxycarbonylphenyl) 5-(1-adamantyl)-2-fluoro-4-methoxybenzoate Traditional Name: 5-(1-adamantyl)-2-fluoro-4-methoxy-benzoic acid (4-allyloxycarbonylphenyl) ester Formula: C28H29FO5 MolecularWeight: 464.525263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FO5/c1-3-8-33-26(30)20-4-6-21(7-5-20)34-27(31)22-12-23(25(32-2)13-24(22)29)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