prop-2-enyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-methyl-benzoate

Systemtic Name: prop-2-enyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-methyl-benzoate Openeye Name: allyl 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoate CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-methylbenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-methylbenzoate Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoic acid allyl ester Formula: C29H32O5 MolecularWeight: 460.56138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32O5/c1-4-9-33-27(30)22-5-7-25(18(2)10-22)34-28(31)23-6-8-26(32-3)24(14-23)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