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

Systemtic Name: methyl 6-[3-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[3-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-hexoxyphenyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(1-adamantyl)-4-hexoxyphenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylic acid methyl ester Formula: C34H40O3 MolecularWeight: 496.6796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H40O3/c1-3-4-5-6-13-37-32-12-11-29(19-31(32)34-20-23-14-24(21-34)16-25(15-23)22-34)27-7-8-28-18-30(33(35)36-2)10-9-26(28)17-27/h7-12,17-19,23-25H,3-6,13-16,20-22H2,1-2H3