[4-(1-adamantyl)phenyl] 3,4-dimethylbenzoate

Systemtic Name: [4-(1-adamantyl)phenyl] 3,4-dimethylbenzoate Openeye Name: [4-(1-adamantyl)phenyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-(1-adamantyl)phenyl] ester Formula: C25H28O2 MolecularWeight: 360.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H28O2/c1-16-3-4-21(9-17(16)2)24(26)27-23-7-5-22(6-8-23)25-13-18-10-19(14-25)12-20(11-18)15-25/h3-9,18-20H,10-15H2,1-2H3