2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl naphthalene-2-carboxylate

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl naphthalene-2-carboxylate Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid 2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl ester IUPAC Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid 2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl ester Formula: C30H28O3 MolecularWeight: 436.54152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#COC(=O)C2=CC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C#COC(=O)C2=CC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H28O3/c1-32-28-9-6-20(15-27(28)30-17-21-12-22(18-30)14-23(13-21)19-30)10-11-33-29(31)26-8-7-24-4-2-3-5-25(24)16-26/h2-9,15-16,21-23H,12-14,17-19H2,1H3