(4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-allyloxycarbonylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid [4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-allyloxycarbonylphenyl) ester Formula: C28H30O5 MolecularWeight: 446.5348

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30O5/c1-3-10-32-26(29)21-4-7-23(8-5-21)33-27(30)22-6-9-25(31-2)24(14-22)28-15-18-11-19(16-28)13-20(12-18)17-28/h3-9,14,18-20H,1,10-13,15-17H2,2H3