(4-methylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: (4-methylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: p-tolyl 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid p-tolyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O3/c1-16-3-6-21(7-4-16)28-24(26)20-5-8-23(27-2)22(12-20)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,17-19H,9-11,13-15H2,1-2H3