methyl 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylate CAS Name: 6-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]naphthalene-2-carboxylate Traditional Name: 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylic acid methyl ester Formula: C31H30O3 MolecularWeight: 450.5681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H30O3/c1-33-29-10-6-21(15-28(29)31-17-22-11-23(18-31)13-24(12-22)19-31)4-3-20-5-7-26-16-27(30(32)34-2)9-8-25(26)14-20/h5-10,14-16,22-24H,11-13,17-19H2,1-2H3