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

Systemtic Name: (2-tert-butyl-4-prop-2-enoxycarbonyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-allyloxycarbonyl-2-tert-butyl-phenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid [2-tert-butyl-4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (2-tert-butyl-4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-allyloxycarbonyl-2-tert-butyl-phenyl) ester Formula: C32H38O5 MolecularWeight: 502.64112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38O5/c1-6-11-36-29(33)23-8-10-28(25(15-23)31(2,3)4)37-30(34)24-7-9-27(35-5)26(16-24)32-17-20-12-21(18-32)14-22(13-20)19-32/h6-10,15-16,20-22H,1,11-14,17-19H2,2-5H3