methyl 3-(1-adamantyl)-4-prop-2-enyl-benzoate

Systemtic Name: methyl 3-(1-adamantyl)-4-prop-2-enyl-benzoate Openeye Name: methyl 3-(1-adamantyl)-4-allyl-benzoate CAS Name: 3-(1-adamantyl)-4-prop-2-enylbenzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-4-prop-2-enylbenzoate Traditional Name: 3-(1-adamantyl)-4-allyl-benzoic acid methyl ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CC=C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CC=C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O2/c1-3-4-17-5-6-18(20(22)23-2)10-19(17)21-11-14-7-15(12-21)9-16(8-14)13-21/h3,5-6,10,14-16H,1,4,7-9,11-13H2,2H3