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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O5/c1-3-10-33-27(30)23-6-4-19(5-7-23)18-34-28(31)24-8-9-25(26(14-24)32-2)29-15-20-11-21(16-29)13-22(12-20)17-29/h3-9,14,20-22H,1,10-13,15-18H2,2H3