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

Systemtic Name: (4-methanoylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-formylphenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-formylphenyl) ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26O4/c1-28-23-7-4-20(24(27)29-21-5-2-16(15-26)3-6-21)11-22(23)25-12-17-8-18(13-25)10-19(9-17)14-25/h2-7,11,15,17-19H,8-10,12-14H2,1H3