[4-prop-2-enoxycarbonyl-3-(trifluoromethyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: [4-prop-2-enoxycarbonyl-3-(trifluoromethyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: [4-allyloxycarbonyl-3-(trifluoromethyl)phenyl] 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid [4-[oxo(prop-2-enoxy)methyl]-3-(trifluoromethyl)phenyl] ester IUPAC Name: [4-prop-2-enoxycarbonyl-3-(trifluoromethyl)phenyl] 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid [4-allyloxycarbonyl-3-(trifluoromethyl)phenyl] ester Formula: C29H29F3O5 MolecularWeight: 514.53277

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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)C(F)(F)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)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H29F3O5/c1-3-8-36-27(34)22-6-5-21(13-23(22)29(30,31)32)37-26(33)20-4-7-25(35-2)24(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