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

Systemtic Name: (3-methyl-4-prop-2-enoxycarbonyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-allyloxycarbonyl-3-methyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid [3-methyl-4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (3-methyl-4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-allyloxycarbonyl-3-methyl-phenyl) ester Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4)C(=O)OCC=C

InChI

InChI=1S/C29H32O5/c1-4-9-33-28(31)24-7-6-23(10-18(24)2)34-27(30)22-5-8-26(32-3)25(14-22)29-15-19-11-20(16-29)13-21(12-19)17-29/h4-8,10,14,19-21H,1,9,11-13,15-17H2,2-3H3